Geometry & MOs

Info

ID:	20784
PubChem CID:	585672
Reduced:	O3C31H46 (1)
Stoich.:	A3B31C46 (1)
Weight, g/mol:	466.344695
ΔH_f, kcal/mol:	-184.38
Dipole, Da:	5.67
IP(EA), eV:	-8.85(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5a,5b,7a,10,13b-pentamethyl-13-oxo-3-propan-2-yl-2,4,5,6,7,8,9,11,11a,13a-decahydro-1H-cyclopenta[a]chrysene-10-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=C2CCC3(C(C2(CC1)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C

DOS

IR

Vibrations