Geometry & MOs

Info

ID:	73451
PubChem CID:	48417747
Reduced:	N2S2O3C20H22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	5.94
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(propylsulfonylamino)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)C2=C(C3=CC=CC=C3S2)C

DOS

IR

Vibrations