Geometry & MOs

Info

ID:	132327
PubChem CID:	51343851
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-56.74
Dipole, Da:	10.43
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC=CC(=C3)C

DOS

IR

Vibrations