Geometry & MOs

Info

ID:

150631

PubChem CID:

53790324

Reduced:

N2O2C17H28 (1)

Stoich.:

A2B2C17D28 (1)

Weight, g/mol:

675.276041

ΔHf, kcal/mol:

-108.03

Dipole, Da:

3.0

IP(EA), eV:

 -8.16(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-3-methyl-3-sulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methyl-3-sulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC(=CC=C1)N(CCCC)CCO

DOS

IR

Vibrations