Geometry & MOs

Info

ID:	141996
PubChem CID:	52965283
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	477.172228
ΔH_f, kcal/mol:	-40.37
Dipole, Da:	10.04
IP(EA), eV:	-9.96(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-7-hydroxy-2-(2-methylphenyl)imino-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1/C(=N\S(=O)(=O)C2=CC=C(C=C2)C)/C3C=CC=CC3=NC1=O

DOS

IR

Vibrations