Geometry & MOs

Info

ID:	79203
PubChem CID:	49747395
Reduced:	SN2O3C13H17 (2)
Stoich.:	AB2C3D13E17 (2)
Weight, g/mol:	594.197063
ΔH_f, kcal/mol:	-219.34
Dipole, Da:	10.84
IP(EA), eV:	-8.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC3=CC=C(C=C3)N4CCCCS4(=O)=O

DOS

IR

Vibrations