Geometry & MOs

Info

ID:	245337
PubChem CID:	99443551
Reduced:	SN3O4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	390.093975
ΔH_f, kcal/mol:	-137.96
Dipole, Da:	8.32
IP(EA), eV:	-8.68(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluoro-5-nitrophenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)N3CCC[C@H]3C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations