Geometry & MOs

Info

ID:	182027
PubChem CID:	76830911
Reduced:	ClO3C30H35 (1)
Stoich.:	AB3C30D35 (1)
Weight, g/mol:	492.277678
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	1.83
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Drug info:

PubChemData

Smile

CCCC(C1=CC=C(C=C1)C(=O)OC(C)(C)C)C(C2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)C

DOS

IR

Vibrations