Geometry & MOs

Info

ID:

215008

PubChem CID:

85083986

Reduced:

S4N5O10H19C24 (1)

Stoich.:

A4B5C10D19E24 (1)

Weight, g/mol:

665.303633

ΔHf, kcal/mol:

-231.48

Dipole, Da:

5.85

IP(EA), eV:

 -9.05(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5,5,5-trifluoro-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)C(=O)O)CSC4=CC(=O)C5=CC(=C(C=C5S4)O)O

DOS

IR

Vibrations