Geometry & MOs

Info

ID:	363399
PubChem CID:	127310937
Reduced:	O2S2N4C17H26 (1)
Stoich.:	A2B2C4D17E26 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	5.42
IP(EA), eV:	-8.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations