Geometry & MOs

Info

ID:

168994

PubChem CID:

75053211

Reduced:

N3F5O5H30C31 (1)

Stoich.:

A3B5C5D30E31 (1)

Weight, g/mol:

765.453745

ΔHf, kcal/mol:

-397.01

Dipole, Da:

8.09

IP(EA), eV:

 -9.35(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-methylphenyl)propanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)N)C4=C(C(=CC=C4)OCCCCC(=O)O)F

DOS

IR

Vibrations