Geometry & MOs

Info

ID:	302189
PubChem CID:	124360326
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	340.133554
ΔH_f, kcal/mol:	-169.77
Dipole, Da:	3.72
IP(EA), eV:	-9.37(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-fluorophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

DOS

IR

Vibrations