Geometry & MOs

Info

ID:	14692
PubChem CID:	417987
Reduced:	OSN2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	309.106159
ΔH_f, kcal/mol:	30.25
Dipole, Da:	2.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.078620
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)N(C=CC1=[N+](C2=CC=CC=C2S1)C)C3=CC=CC=C3

DOS

IR

Vibrations