Geometry & MOs

Info

ID:

215252

PubChem CID:

85084430

Reduced:

SN4F5O5H35C36 (1)

Stoich.:

AB4C5D5E35F36 (1)

Weight, g/mol:

779.2755

ΔHf, kcal/mol:

-383.57

Dipole, Da:

5.7

IP(EA), eV:

 -9.17(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C1=CC(=C(C=C1)F)F)C2=CC(=CC(=C2)N3CCCC3=O)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)C(F)(F)F)O

DOS

IR

Vibrations