Geometry & MOs

Info

ID:	56289
PubChem CID:	17424988
Reduced:	OSN5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	469.045225
ΔH_f, kcal/mol:	47.91
Dipole, Da:	4.83
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dichloro-6-methoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=NCCS3)C)C

DOS

IR

Vibrations