Geometry & MOs

Info

ID:	132326
PubChem CID:	51343433
Reduced:	S2N3O6C27H31 (1)
Stoich.:	A2B3C6D27E31 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-176.31
Dipole, Da:	12.7
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations