Geometry & MOs

Info

ID:	129402
PubChem CID:	51072493
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	340.045253
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	5.18
IP(EA), eV:	-9.15(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations