Geometry & MOs

Info

ID:	141997
PubChem CID:	52965679
Reduced:	SN3O4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	419.097349
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	4.37
IP(EA), eV:	-8.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4CCC(CC4OC3=NC5=CC=CC=C5C)O

DOS

IR

Vibrations