Geometry & MOs

Info

ID:	158288
PubChem CID:	56463301
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	0.45
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrazol-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3

DOS

IR

Vibrations