Geometry & MOs

Info

ID:	440741
PubChem CID:	135231254
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	5.95
IP(EA), eV:	-8.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylphenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CS(=O)(=O)NC2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations