Geometry & MOs

Info

ID:	141074
PubChem CID:	52813477
Reduced:	FSO3N5H16C21 (1)
Stoich.:	ABC3D5E16F21 (1)
Weight, g/mol:	363.107987
ΔH_f, kcal/mol:	21.39
Dipole, Da:	3.43
IP(EA), eV:	-9.2(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=C(C=C2)F)C(=O)NC3=NNC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations