Geometry & MOs

Info

ID:	351160
PubChem CID:	127279718
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	356.06532
ΔH_f, kcal/mol:	-103.59
Dipole, Da:	3.75
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCOC1)C(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations