Geometry & MOs

Info

ID:	393697
PubChem CID:	135021490
Reduced:	N2S2O9C37H70 (1)
Stoich.:	A2B2C9D37E70 (1)
Weight, g/mol:	408.193023
ΔH_f, kcal/mol:	-505.12
Dipole, Da:	5.68
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[2-[3-[(2-methylsulfanylacetyl)amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)O

DOS

IR

Vibrations