Geometry & MOs

Info

ID:	59366
PubChem CID:	24844219
Reduced:	SCl2O2N3C9H15 (1)
Stoich.:	AB2C2D3E9F15 (1)
Weight, g/mol:	455.257277
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	2.75
IP(EA), eV:	-9.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dicyclohexyl-2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NN1S(=O)(=O)N(CCCl)CCCl)C

DOS

IR

Vibrations