Geometry & MOs

Info

ID:	345852
PubChem CID:	127270152
Reduced:	SN2O3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-168.52
Dipole, Da:	7.04
IP(EA), eV:	-8.69(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NC3CCC(CC3)C(=O)N4CCSCC4

DOS

IR

Vibrations