Geometry & MOs

Info

ID:

192869

PubChem CID:

78321832

Reduced:

N6O9C27H40 (1)

Stoich.:

A6B9C27D40 (1)

Weight, g/mol:

609.27584

ΔHf, kcal/mol:

-410.69

Dipole, Da:

6.15

IP(EA), eV:

 -9.23(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2)O

DOS

IR

Vibrations