Geometry & MOs

Info

ID:	351132
PubChem CID:	127279690
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	348.09662
ΔH_f, kcal/mol:	-94.62
Dipole, Da:	2.78
IP(EA), eV:	-9.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC2=NC=CN=C2C=C1)S(=O)(=O)C3CCCCC3

DOS

IR

Vibrations