Geometry & MOs

Info

ID:

228505

PubChem CID:

87565018

Reduced:

SCl2O8N12C38H48 (1)

Stoich.:

AB2C8D12E38F48 (1)

Weight, g/mol:

376.14818

ΔHf, kcal/mol:

-139.42

Dipole, Da:

2.93

IP(EA), eV:

 -8.35(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-carboxy-2-[[2-(2-carboxypropan-2-yloxy)-2-oxoethyl]amino]acetyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(CN2OS(=O)(=O)ON3CN(C4=C3N(C(=O)N(C4=O)C)C)CCN5CCN(CC5)C6=CC=CC=C6Cl)CCN7CCN(CC7)C8=CC=CC=C8Cl

DOS

IR

Vibrations