Geometry & MOs

Info

ID:	172121
PubChem CID:	75469042
Reduced:	NOS2C15H29 (1)
Stoich.:	ABC2D15E29 (1)
Weight, g/mol:	393.084887
ΔH_f, kcal/mol:	-66.78
Dipole, Da:	5.68
IP(EA), eV:	-8.28(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)C1CCCCC1NC2CCCCC2SC

DOS

IR

Vibrations