Geometry & MOs

Info

ID:	79215
PubChem CID:	49747452
Reduced:	S2N4O5C23H28 (1)
Stoich.:	A2B4C5D23E28 (1)
Weight, g/mol:	546.197063
ΔH_f, kcal/mol:	-162.37
Dipole, Da:	4.08
IP(EA), eV:	-8.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCNC(=O)C(=O)NC2=CC(=CC=C2)N3CCCC3=O)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations