Geometry & MOs

Info

ID:	189707
PubChem CID:	77893250
Reduced:	ClSO3N7C30H38 (1)
Stoich.:	ABC3D7E30F38 (1)
Weight, g/mol:	470.094617
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	7.55
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chloro-4-ethyl-2,3-dihydrothiophene-2-carbonyl)amino]cyclohexyl]-N'-(5-chloropyridin-2-yl)oxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC(=N2)C(=C)NC3CC(CCC3NC(=O)C4=C(C5=C(N4)C=CC(=C5)Cl)C(=O)N(C)C)C(=O)N(C)C

DOS

IR

Vibrations