Geometry & MOs

Info

ID:	142023
PubChem CID:	52969494
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	9.69
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-4,7-dimethoxy-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2C(CCC(C2SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3)C)OC

DOS

IR

Vibrations