Geometry & MOs

Info

ID:

193147

PubChem CID:

78349912

Reduced:

PN7O19C43H60 (1)

Stoich.:

AB7C19D43E60 (1)

Weight, g/mol:

367.093498

ΔHf, kcal/mol:

-896.13

Dipole, Da:

9.83

IP(EA), eV:

 -9.17(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2-amino-2-phenylacetyl)amino]-carboxymethyl]-5-chloro-1,2,3,4-tetrahydropyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations