Geometry & MOs

Info

ID:	158155
PubChem CID:	56463073
Reduced:	SN3O3C25H25 (1)
Stoich.:	AB3C3D25E25 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	3.42
IP(EA), eV:	-8.43(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations