Geometry & MOs

Info

ID:	312421
PubChem CID:	126604767
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	360.042477
ΔH_f, kcal/mol:	9.53
Dipole, Da:	5.14
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methylsulfanyl-N-phenyl-2,3,4,5-tetrahydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\CC#N)/OC1=C2C=C(CCC2=C(S1)CC(=O)CN)C=N

DOS

IR

Vibrations