Geometry & MOs

Info

ID:	142936
PubChem CID:	53120206
Reduced:	SN3O4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-83.47
Dipole, Da:	5.92
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(benzenesulfonamido)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations