Geometry & MOs

Info

ID:	142024
PubChem CID:	52969495
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	410.025869
ΔH_f, kcal/mol:	-142.89
Dipole, Da:	9.71
IP(EA), eV:	-9.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations