Geometry & MOs

Info

ID:	173388
PubChem CID:	75633242
Reduced:	SN4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	515.182062
ΔH_f, kcal/mol:	105.7
Dipole, Da:	7.02
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diphenyl-N-[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino]butanediamide

Drug info:

PubChemData

Smile

CC=CC(=CC=C)CSC1=NC=NC2=C1N3CCCC3=N2

DOS

IR

Vibrations