Geometry & MOs

Info

ID:	138680
PubChem CID:	52407372
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	379.108754
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	1.21
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)N(C)C

DOS

IR

Vibrations