Geometry & MOs

Info

ID:	62872
PubChem CID:	26737399
Reduced:	Cl3N3O3H16C21 (1)
Stoich.:	A3B3C3D16E21 (1)
Weight, g/mol:	443.159354
ΔH_f, kcal/mol:	-57.98
Dipole, Da:	5.14
IP(EA), eV:	-8.24(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=NC=C(C(=C3Cl)Cl)Cl

DOS

IR

Vibrations