Geometry & MOs

Info

ID:	310713
PubChem CID:	126584511
Reduced:	IO3N4C16H29 (1)
Stoich.:	AB3C4D16E29 (1)
Weight, g/mol:	454.098077
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	3.72
IP(EA), eV:	-9.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 3-[3-[3-(pyridin-2-yldisulfanyl)propanoylamino]propanoylamino]propanoate

Drug info:

PubChemData

Smile

[13CH3]C1CCCC(N1C[13C](=O)[15NH][13CH2]CC(=O)NCCNC(=O)CI)[13CH3]

DOS

IR

Vibrations