Geometry & MOs

Info

ID:	345872
PubChem CID:	127270172
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-170.68
Dipole, Da:	4.78
IP(EA), eV:	-8.71(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]quinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations