Geometry & MOs

Info

ID:	414955
PubChem CID:	135087935
Reduced:	SN4O5C18H34 (1)
Stoich.:	AB4C5D18E34 (1)
Weight, g/mol:	324.161997
ΔH_f, kcal/mol:	-266.89
Dipole, Da:	6.67
IP(EA), eV:	-9.5(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-4-yl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)NCCC1)C(C)C)C

DOS

IR

Vibrations