Geometry & MOs

Info

ID:	145624
PubChem CID:	53557597
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	310.092204
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	5.86
IP(EA), eV:	-9.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1C(C1NC(=O)COC2=CC=C(C=C2)C(=O)N)C3=CC=CC=C3Cl

DOS

IR

Vibrations