Geometry & MOs

Info

ID:	64628
PubChem CID:	29203528
Reduced:	OSN2C19H24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	325.009491
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	4.35
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-3-(methylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C[C@@H](CC3)C(C)(C)C

DOS

IR

Vibrations