Geometry & MOs

Info

ID:	321352
PubChem CID:	126665851
Reduced:	SF3O3N6C31H33 (1)
Stoich.:	AB3C3D6E31F33 (1)
Weight, g/mol:	402.073988
ΔH_f, kcal/mol:	-153.69
Dipole, Da:	9.57
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-(4-fluoro-3-formylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=NC=CS4)N(C)C5CC5

DOS

IR

Vibrations