Geometry & MOs

Info

ID:	151183
PubChem CID:	53790883
Reduced:	O4C15H29 (2)
Stoich.:	A4B15C29 (2)
Weight, g/mol:	461.183186
ΔH_f, kcal/mol:	-288.76
Dipole, Da:	2.06
IP(EA), eV:	-10.54(-3.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-sulfanylpropanoyl]amino]acetyl]oxynon-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC(=O)OOOOC(=O)OCCCCCCCCCCCCCC

DOS

IR

Vibrations