Geometry & MOs

Info

ID:	131739
PubChem CID:	51256489
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	389.086784
ΔH_f, kcal/mol:	-163.22
Dipole, Da:	5.22
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)NCCC(=O)OC(C)C

DOS

IR

Vibrations