Geometry & MOs

Info

ID:	155864
PubChem CID:	56367985
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	482.162391
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	5.31
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCCC(=O)NCC3=CC=NC=C3)C4=CC=CS4

DOS

IR

Vibrations