Geometry & MOs

Info

ID:	345855
PubChem CID:	127270155
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-156.0
Dipole, Da:	2.05
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations