Geometry & MOs

Info

ID:	155699
PubChem CID:	56366979
Reduced:	BrN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	397.026345
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	5.75
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations