Geometry & MOs

Info

ID:	353378
PubChem CID:	127284754
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-103.97
Dipole, Da:	6.53
IP(EA), eV:	-8.67(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dioxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2CCSC2)C(=O)C3=CC4=CC=CC=C4NC3=O

DOS

IR

Vibrations