Geometry & MOs

Info

ID:	145619
PubChem CID:	53557519
Reduced:	INO2S2C8H12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	434.12019
ΔH_f, kcal/mol:	-49.18
Dipole, Da:	5.11
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]ethyl 2-phenyl-2-pyrazol-1-ylacetate

Drug info:

PubChemData

Smile

CCS(=O)(=O)NCCC1=CC=C(S1)I

DOS

IR

Vibrations