Geometry & MOs

Info

ID:	172199
PubChem CID:	75478903
Reduced:	ClNSF2O6C14H20 (1)
Stoich.:	ABCD2E6F14G20 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-343.0
Dipole, Da:	4.25
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylanilino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

COC(CN(CCCO)S(=O)(=O)C1=CC(=C(C=C1)OC(F)F)Cl)OC

DOS

IR

Vibrations