Geometry & MOs

Info

ID:

45009

PubChem CID:

10507156

Reduced:

O2N3H33C38 (1)

Stoich.:

A2B3C33D38 (1)

Weight, g/mol:

563.185685

ΔHf, kcal/mol:

96.69

Dipole, Da:

6.27

IP(EA), eV:

 -9.17(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC(C#N)N=C(C1=CC=CC=C1)C2=CC=CC=C2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations