Geometry & MOs

Info

ID:	159278
PubChem CID:	57269412
Reduced:	OSC7H12 (1)
Stoich.:	ABC7D12 (1)
Weight, g/mol:	418.344695
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	5.09
IP(EA), eV:	-9.54(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-1,1-diol

Drug info:

PubChemData

Smile

CC(C=C(C)C)C(=O)S

DOS

IR

Vibrations