Geometry & MOs

Info

ID:	336899
PubChem CID:	127255906
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	555.225702
ΔH_f, kcal/mol:	-137.55
Dipole, Da:	0.97
IP(EA), eV:	-9.63(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(13S,17S)-3-(2-benzoyl-4-nitrophenoxy)-2-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC(C)(C)C)N

DOS

IR

Vibrations