Geometry & MOs

Info

ID:	302861
PubChem CID:	124397731
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	382.214409
ΔH_f, kcal/mol:	-168.81
Dipole, Da:	3.79
IP(EA), eV:	-9.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(8S,10S,13S,14R,16R,17R)-10,13,16-trimethyl-3-oxo-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate

Drug info:

PubChemData

Smile

C[C@H]([C@H](C)NC(=O)OCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations