Geometry & MOs

Info

ID:	155804
PubChem CID:	56367623
Reduced:	BrN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	424.020845
ΔH_f, kcal/mol:	-88.89
Dipole, Da:	7.33
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CCCOC2=CC=CC=C2

DOS

IR

Vibrations