Geometry & MOs

Info

ID:	70808
PubChem CID:	48413898
Reduced:	SO3N4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	346.06551
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	5.0
IP(EA), eV:	-9.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2)C(=O)NCC3=C(NN=C3)C)C)C

DOS

IR

Vibrations