Geometry & MOs

Info

ID:	303445
PubChem CID:	124489723
Reduced:	N2S2O4C9H20 (1)
Stoich.:	A2B2C4D9E20 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-180.67
Dipole, Da:	3.61
IP(EA), eV:	-9.08(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCNC[C@H]1NS(=O)(=O)CCS(=O)(=O)C

DOS

IR

Vibrations