Geometry & MOs

Info

ID:	302455
PubChem CID:	124361808
Reduced:	NO3H23C29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	312.102254
ΔH_f, kcal/mol:	-4.12
Dipole, Da:	3.9
IP(EA), eV:	-8.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3[C@@H](C=C2)C4([C@H]([C@H]3C(=O)C)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C4=O

DOS

IR

Vibrations