Geometry & MOs

Info

ID:	363402
PubChem CID:	127310940
Reduced:	OS2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	394.186104
ΔH_f, kcal/mol:	-36.86
Dipole, Da:	4.02
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)NCC2(CCCCC2)N3CCSCC3)NC

DOS

IR

Vibrations