Geometry & MOs

Info

ID:	149819
PubChem CID:	53789496
Reduced:	O2N3H7C9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	398.209324
ΔH_f, kcal/mol:	0.3
Dipole, Da:	4.32
IP(EA), eV:	-9.27(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,9S,13S,14S)-1-acetyloxy-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

Drug info:

PubChemData

Smile

C1=CNC(=O)C(=C1)OC2=NC=CC=N2

DOS

IR

Vibrations