Geometry & MOs

Info

ID:	302216
PubChem CID:	124360353
Reduced:	NO2C8H9 (3)
Stoich.:	AB2C8D9 (3)
Weight, g/mol:	418.04407
ΔH_f, kcal/mol:	-220.67
Dipole, Da:	7.24
IP(EA), eV:	-8.28(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NCC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations