Geometry & MOs

Info

ID:	154049
PubChem CID:	56313417
Reduced:	ClON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	382.117356
ΔH_f, kcal/mol:	30.4
Dipole, Da:	3.92
IP(EA), eV:	-9.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenylbutyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=NN(C=C1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations