Geometry & MOs

Info

ID:	17392
PubChem CID:	495523
Reduced:	O5C29H40 (1)
Stoich.:	A5B29C40 (1)
Weight, g/mol:	468.287574
ΔH_f, kcal/mol:	-259.25
Dipole, Da:	5.12
IP(EA), eV:	-9.16(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-acetyloxy-4,4,13,14-tetramethyl-11-oxo-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2(C1(CC(=O)C3=C2C=CC4=C3CCC(C4(C)C)OC(=O)C)C)C

DOS

IR

Vibrations