Geometry & MOs

Info

ID:	302662
PubChem CID:	124391767
Reduced:	SN2O6C28H28 (1)
Stoich.:	AB2C6D28E28 (1)
Weight, g/mol:	362.033731
ΔH_f, kcal/mol:	-176.55
Dipole, Da:	4.32
IP(EA), eV:	-9.33(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@H]1C3=CC=C(C=C3)C(C)C)C(=O)/C(=C\C4=CC=C(C=C4)OCC(=O)O)/S2)C

DOS

IR

Vibrations