Geometry & MOs

Info

ID:	66303
PubChem CID:	46504165
Reduced:	S2O3N4C20H32 (1)
Stoich.:	A2B3C4D20E32 (1)
Weight, g/mol:	466.243619
ΔH_f, kcal/mol:	-95.97
Dipole, Da:	3.14
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-[[3-morpholin-4-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]acetamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3

DOS

IR

Vibrations