Geometry & MOs

Info

ID:	169073
PubChem CID:	75060105
Reduced:	FN3O14C33H44 (1)
Stoich.:	AB3C14D33E44 (1)
Weight, g/mol:	553.232325
ΔH_f, kcal/mol:	-478.52
Dipole, Da:	9.52
IP(EA), eV:	-9.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-fluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate

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

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)CCNC(=O)CCCO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-])C)O)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

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)CCNC(=O)CCCO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-])C)O)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):