Geometry & MOs

Info

ID:	179413
PubChem CID:	76479399
Reduced:	SN3O5C21H39 (1)
Stoich.:	AB3C5D21E39 (1)
Weight, g/mol:	452.12123
ΔH_f, kcal/mol:	-250.68
Dipole, Da:	3.3
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-ethyl-17-(2-iodoethenyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC(C)CCC(C(=O)N(C(=O)NC(C(=O)NC)C(C)(C)SCC1CCCCC1)O)O

DOS

IR

Vibrations