Geometry & MOs

Info

ID:	41797
PubChem CID:	8147123
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	336.984338
ΔH_f, kcal/mol:	-57.59
Dipole, Da:	10.18
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1[C@@H]2CCS(=O)(=O)C2)C)CN(C)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations