Geometry & MOs

Info

ID:	158148
PubChem CID:	56463065
Reduced:	S2N3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-115.87
Dipole, Da:	5.32
IP(EA), eV:	-9.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(E)-3-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2CCCN(C2)C(=O)C3=CC=CS3

DOS

IR

Vibrations