Geometry & MOs

Info

ID:	142031
PubChem CID:	52970375
Reduced:	S2N3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	449.144299
ΔH_f, kcal/mol:	-103.81
Dipole, Da:	6.34
IP(EA), eV:	-8.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-ethoxyethyl)-5,6-dimethoxy-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

COCCN1C2CC(C(CC2SC1=NC(=O)C3=CC4=C(C=C3)N=CS4)OC)OC

DOS

IR

Vibrations