Geometry & MOs

Info

ID:	160343
PubChem CID:	57309691
Reduced:	ClSC4H5 (1)
Stoich.:	ABC4D5 (1)
Weight, g/mol:	430.271924
ΔH_f, kcal/mol:	31.65
Dipole, Da:	1.01
IP(EA), eV:	-9.22(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,9S,10R,13S,14S,17R)-3-acetyloxy-10,13-dimethyl-17-(1-oxopropan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C(CS)C#CCl

DOS

IR

Vibrations