Geometry & MOs

Info

ID:

16862

PubChem CID:

477839

Reduced:

N4O10C43H52 (1)

Stoich.:

A4B10C43D52 (1)

Weight, g/mol:

784.368344

ΔHf, kcal/mol:

-417.39

Dipole, Da:

17.3

IP(EA), eV:

 -8.81(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[4-[[3-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)C1=CC2=CC=CC=C2C(=C1O)CC3=C(C(=CC4=CC=CC=C43)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)O

DOS

IR

Vibrations