Geometry & MOs

Info

ID:	167975
PubChem CID:	74907683
Reduced:	SO5N6H18C20 (1)
Stoich.:	AB5C6D18E20 (1)
Weight, g/mol:	394.135114
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	5.84
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-oxo-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N=C3N(C4=CC5=C(C=C4S3)OCO5)CC#C

DOS

IR

Vibrations