Geometry & MOs

Info

ID:	157367
PubChem CID:	56423127
Reduced:	ClSN2O6H21C23 (1)
Stoich.:	ABC2D6E21F23 (1)
Weight, g/mol:	434.032975
ΔH_f, kcal/mol:	-166.83
Dipole, Da:	4.01
IP(EA), eV:	-8.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations