Geometry & MOs

Info

ID:	79216
PubChem CID:	49747455
Reduced:	S2N4O5C26H34 (1)
Stoich.:	A2B4C5D26E34 (1)
Weight, g/mol:	554.132748
ΔH_f, kcal/mol:	-178.85
Dipole, Da:	6.94
IP(EA), eV:	-8.58(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C(=O)NCCC3CCCCN3S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations