Geometry & MOs

Info

ID:	225505
PubChem CID:	85852592
Reduced:	OC12H20 (2)
Stoich.:	AB12C20 (2)
Weight, g/mol:	422.303224
ΔH_f, kcal/mol:	-139.73
Dipole, Da:	3.15
IP(EA), eV:	-9.08(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3,5,17-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

CC(CCCO)C1CC=C2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

DOS

IR

Vibrations