Geometry & MOs

Info

ID:	167972
PubChem CID:	74907632
Reduced:	SN3O3H17C23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	374.031433
ΔH_f, kcal/mol:	74.03
Dipole, Da:	6.51
IP(EA), eV:	-8.66(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C=CCN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations