Geometry & MOs

Info

ID:	217858
PubChem CID:	85088498
Reduced:	O3C27H34 (1)
Stoich.:	A3B27C34 (1)
Weight, g/mol:	406.217781
ΔH_f, kcal/mol:	-127.0
Dipole, Da:	3.51
IP(EA), eV:	-8.55(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2-methoxyethoxymethylsulfanylmethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC1CC2C(CCC3C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)(CC1=O)C

DOS

IR

Vibrations