Geometry & MOs

Info

ID:	226295
PubChem CID:	87350381
Reduced:	IO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	506.27594
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	5.7
IP(EA), eV:	-10.51(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)(C)C(=O)O.I

DOS

IR

Vibrations