Geometry & MOs

Info

ID:

47403

PubChem CID:

10532403

Reduced:

O10H34C39 (1)

Stoich.:

A10B34C39 (1)

Weight, g/mol:

662.375161

ΔHf, kcal/mol:

-282.16

Dipole, Da:

2.36

IP(EA), eV:

 -8.73(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)OC)C4=C(C(=O)C5=C(O4)C=C(C=C5)OC)C6=CC=C(C=C6)OC

DOS

IR

Vibrations