Geometry & MOs

Info

ID:	120931
PubChem CID:	50750910
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	376.076075
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	4.39
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C)CCC(=O)N4CCOCC4

DOS

IR

Vibrations