Geometry & MOs

Info

ID:	353377
PubChem CID:	127284753
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-36.11
Dipole, Da:	4.02
IP(EA), eV:	-8.91(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N(CC3CCCO3)C4CCSC4

DOS

IR

Vibrations