Geometry & MOs

Info

ID:	365768
PubChem CID:	127318493
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	364.091535
ΔH_f, kcal/mol:	28.53
Dipole, Da:	1.34
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-(6,7,8,9-tetrahydrobenzo[e][1,3]benzothiazol-2-yl)thiane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=NC3=C(S2)C=CC4=C3CCCC4)C

DOS

IR

Vibrations