Geometry & MOs

Info

ID:	245562
PubChem CID:	99453875
Reduced:	FSN4O4C20H21 (1)
Stoich.:	ABC4D4E20F21 (1)
Weight, g/mol:	462.092868
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	3.84
IP(EA), eV:	-8.91(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-5-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C)C3=CC=CC=C3F

DOS

IR

Vibrations