Geometry & MOs

Info

ID:	79227
PubChem CID:	49747553
Reduced:	S2N3O3C15H19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	560.122184
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	2.79
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNS(=O)(=O)C2=CN=CC=C2)C3=CC=CS3

DOS

IR

Vibrations