Geometry & MOs

Info

ID:	302170
PubChem CID:	124360307
Reduced:	SO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	328.072703
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	0.41
IP(EA), eV:	-8.68(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](CCSC)NC(=O)[C@H]2CC3=CC=CC=C3CN2

DOS

IR

Vibrations