Geometry & MOs

Info

ID:	160443
PubChem CID:	57309791
Reduced:	BrOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	428.365431
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	4.69
IP(EA), eV:	-8.86(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate

Drug info:

PubChemData

Smile

CC1(CCOC2=C1C=C(C=C2)SBr)C

DOS

IR

Vibrations