Geometry & MOs

Info

ID:	327311
PubChem CID:	126689494
Reduced:	S2N3O6C18H31 (1)
Stoich.:	A2B3C6D18E31 (1)
Weight, g/mol:	584.149838
ΔH_f, kcal/mol:	-221.01
Dipole, Da:	5.28
IP(EA), eV:	-8.91(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-but-3-ynyl-5-(2-carboxyethylsulfanylmethyl)-4,4-bis(2,5-dioxopyrrolidin-1-yl)-2-methyl-1,3-dioxan-5-yl]methylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(CSCCC(=O)OC)CSCCC(=O)OC)CCCN=[N+]=[N-]

DOS

IR

Vibrations