Geometry & MOs

Info

ID:	141231
PubChem CID:	52843570
Reduced:	SN2F3O3C19H19 (1)
Stoich.:	AB2C3D3E19F19 (1)
Weight, g/mol:	403.125609
ΔH_f, kcal/mol:	-230.77
Dipole, Da:	7.85
IP(EA), eV:	-9.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N[C@H]2C[C@H]2C3=CC=CC=C3C(F)(F)F)NS(=O)(=O)C

DOS

IR

Vibrations