Geometry & MOs

Info

ID:	392469
PubChem CID:	135016855
Reduced:	N2F3O4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	1264.460907
ΔH_f, kcal/mol:	-306.18
Dipole, Da:	6.39
IP(EA), eV:	-9.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-2-methyl-6-[4-oxo-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-3-yl]oxy-3-phenylmethoxy-5-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]oxyoxan-4-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

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

CCOC(=O)CCC1=NC(=CC2=C1N(C(=O)C2)C(=O)C(F)(F)F)C

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

CCOC(=O)CCC1=NC(=CC2=C1N(C(=O)C2)C(=O)C(F)(F)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):