Geometry & MOs

Info

ID:	30087
PubChem CID:	839688
Reduced:	OSN3H15C20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	321.057198
ΔH_f, kcal/mol:	74.02
Dipole, Da:	6.83
IP(EA), eV:	-8.47(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-iminochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)/C=C/3\C(=O)N4C5=CC=CC=C5N=C4S3

DOS

IR

Vibrations