Geometry & MOs

Info

ID:	345863
PubChem CID:	127270163
Reduced:	S2N3O3C16H25 (1)
Stoich.:	A2B3C3D16E25 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-148.23
Dipole, Da:	1.8
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)CN3CSCC3=O

DOS

IR

Vibrations