Geometry & MOs

Info

ID:

43401

PubChem CID:

10321237

Reduced:

ON2H10C14 (2)

Stoich.:

AB2C10D14 (2)

Weight, g/mol:

444.153049

ΔHf, kcal/mol:

78.97

Dipole, Da:

7.82

IP(EA), eV:

 -9.26(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6Z,13S)-13-ethyl-17,17-difluoro-6-hydroxyimino-2-methoxy-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-yl] sulfamate

Drug info:

PubChemData

Smile

C1CCC2=C(C3=NC4=C(C=C3C1)C(=O)C=CC4=O)N=C5C(=C2)C=C6CCC7=C(C6=N5)N=CC=C7

DOS

IR

Vibrations