Geometry & MOs

Info

ID:	155601
PubChem CID:	56366187
Reduced:	SN5O6C22H27 (1)
Stoich.:	AB5C6D22E27 (1)
Weight, g/mol:	452.151826
ΔH_f, kcal/mol:	-135.15
Dipole, Da:	11.03
IP(EA), eV:	-9.92(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(phenyl)sulfamoyl]-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations