Geometry & MOs

Info

ID:	61630
PubChem CID:	26711264
Reduced:	SO4N5C22H25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	454.131091
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	3.36
IP(EA), eV:	-8.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(6-methoxypyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)SCC(=O)NC3=CN=C(C=C3)OC

DOS

IR

Vibrations