Geometry & MOs

Info

ID:	49739
PubChem CID:	11533694
Reduced:	ClSN4O4C25H31 (1)
Stoich.:	ABC4D4E25F31 (1)
Weight, g/mol:	482.272199
ΔH_f, kcal/mol:	-84.17
Dipole, Da:	6.41
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-benzhydrylidenepiperidin-1-yl)-2,2-diphenylpentanenitrile

Drug info:

PubChemData

Smile

C1C2CN(CC(O2)CN1CCCOC3=CC=C(C=C3)C#N)CCNS(=O)(=O)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations