Geometry & MOs

Info

ID:	365769
PubChem CID:	127318494
Reduced:	N2S2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-102.88
Dipole, Da:	7.1
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC3=C2N=C(S3)NC(=O)C4CCS(=O)(=O)CC4

DOS

IR

Vibrations