Geometry & MOs

Info

ID:	157071
PubChem CID:	56422090
Reduced:	N2S2O5C20H30 (1)
Stoich.:	A2B2C5D20E30 (1)
Weight, g/mol:	414.128314
ΔH_f, kcal/mol:	-213.81
Dipole, Da:	8.62
IP(EA), eV:	-9.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-oxo-3-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propyl]sulfanylacetate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCSCC(=O)OC

DOS

IR

Vibrations