Geometry & MOs

Info

ID:

340091

PubChem CID:

127262100

Reduced:

N3O3C19H29 (2)

Stoich.:

A3B3C19D29 (2)

Weight, g/mol:

391.174336

ΔHf, kcal/mol:

-284.93

Dipole, Da:

6.0

IP(EA), eV:

 -9.02(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCN([C@@H](CC(C)C)C(=O)N)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations