Geometry & MOs

Info

ID:

45179

PubChem CID:

10508822

Reduced:

N6O8H32C37 (1)

Stoich.:

A6B8C32D37 (1)

Weight, g/mol:

689.374826

ΔHf, kcal/mol:

-169.05

Dipole, Da:

5.55

IP(EA), eV:

 -9.11(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-2-benzyl-6-methyl-4-oxoheptanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)OC(=N2)C(C(CC3=CC=CC=C3)NC(=O)CN4C(=NC=C(C4=O)NC(=O)OCC5=CC=CC=C5)C6=CC=NC=C6)O

DOS

IR

Vibrations