Geometry & MOs

Info

ID:	353375
PubChem CID:	127284751
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	6.06
IP(EA), eV:	-8.47(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-3,4-dihydro-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)CN(C2CCSC2)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations