Geometry & MOs

Info

ID:	302220
PubChem CID:	124360357
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	312.102254
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	2.35
IP(EA), eV:	-9.22(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](NCC2=CC=CC=C21)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations