Geometry & MOs

Info

ID:	345842
PubChem CID:	127270142
Reduced:	SN2O4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	380.151826
ΔH_f, kcal/mol:	-191.35
Dipole, Da:	2.72
IP(EA), eV:	-8.88(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2,4-dioxo-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)C3COCCO3

DOS

IR

Vibrations