Geometry & MOs

Info

ID:

336904

PubChem CID:

127255911

Reduced:

FN5O6C30H30 (1)

Stoich.:

AB5C6D30E30 (1)

Weight, g/mol:

497.220223

ΔHf, kcal/mol:

-168.69

Dipole, Da:

9.64

IP(EA), eV:

 -8.87(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-nitrophenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OC[C@@H](C)OC(=O)C(C)NC(=O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations