Geometry & MOs

Info

ID:	381194
PubChem CID:	134971849
Reduced:	O3C29H50 (1)
Stoich.:	A3B29C50 (1)
Weight, g/mol:	584.30903
ΔH_f, kcal/mol:	-232.83
Dipole, Da:	3.55
IP(EA), eV:	-10.12(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-iodo-2,3,10,13-tetramethyl-17-octyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl) acetate

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)OC(=O)C)C)C

DOS

IR

Vibrations