Geometry & MOs

Info

ID:	178298
PubChem CID:	76310010
Reduced:	ClN2S2O3H11C20 (1)
Stoich.:	AB2C2D3E11F20 (1)
Weight, g/mol:	391.23
ΔH_f, kcal/mol:	13.83
Dipole, Da:	8.26
IP(EA), eV:	-9.39(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-4,4-diphenylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C(/C=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O)\C#N)Cl

DOS

IR

Vibrations