Geometry & MOs

Info

ID:

15611

PubChem CID:

445785

Reduced:

N3O10C30H37 (1)

Stoich.:

A3B10C30D37 (1)

Weight, g/mol:

599.247894

ΔHf, kcal/mol:

-412.05

Dipole, Da:

6.99

IP(EA), eV:

 -9.75(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(carboxymethoxy)-5-[(2S)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-phenylpropanoyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCNC(=O)[C@H](CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CCC(=O)O

DOS

IR

Vibrations