Geometry & MOs

Info

ID:	376004
PubChem CID:	134222004
Reduced:	NO3F4H29C30 (1)
Stoich.:	AB3C4D29E30 (1)
Weight, g/mol:	1675.704015
ΔH_f, kcal/mol:	-292.7
Dipole, Da:	7.25
IP(EA), eV:	-8.58(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl [4-fluoro-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] [5-[3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] phosphate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1=C(C2=C(C=C1C)N(CC2)C(=O)C3=C(C(=CC=C3)C(F)(F)F)OC)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1=C(C2=C(C=C1C)N(CC2)C(=O)C3=C(C(=CC=C3)C(F)(F)F)OC)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):