Geometry & MOs

Info

ID:	73673
PubChem CID:	48419731
Reduced:	SN3O5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	325.122655
ΔH_f, kcal/mol:	-77.33
Dipole, Da:	8.07
IP(EA), eV:	-9.07(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)CNC(=O)CS(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations