Geometry & MOs

Info

ID:	245548
PubChem CID:	99453822
Reduced:	FSO3N7H16C20 (1)
Stoich.:	ABC3D7E16F20 (1)
Weight, g/mol:	363.124386
ΔH_f, kcal/mol:	56.05
Dipole, Da:	7.77
IP(EA), eV:	-9.11(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])C4=CC=CC=C4F

DOS

IR

Vibrations