Geometry & MOs

Info

ID:	222852
PubChem CID:	85332738
Reduced:	N2O3F8H20C26 (1)
Stoich.:	A2B3C8D20E26 (1)
Weight, g/mol:	560.284614
ΔH_f, kcal/mol:	-466.67
Dipole, Da:	5.63
IP(EA), eV:	-9.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) N-[(3-azido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxycarbonyl]carbamate

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

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(C(N(C(=O)N2)C3=C(C=CC=C3F)F)O)C4=CC=CC=C4

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

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(C(N(C(=O)N2)C3=C(C=CC=C3F)F)O)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):