Geometry & MOs

Info

ID:	308089
PubChem CID:	125316910
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	426.204239
ΔH_f, kcal/mol:	-33.53
Dipole, Da:	9.41
IP(EA), eV:	-7.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(8S,10S,13S,14R,17S)-17-acetyloxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C1NC2=CC=CC=C2C(=O)N1CCCCCC(=O)NC3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations