Geometry & MOs

Info

ID:

190904

PubChem CID:

78072955

Reduced:

ClN6O9C36H41 (1)

Stoich.:

AB6C9D36E41 (1)

Weight, g/mol:

974.313084

ΔHf, kcal/mol:

-350.86

Dipole, Da:

7.27

IP(EA), eV:

 -8.78(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[(2-acetamido-3-pyridin-3-ylpropanoyl)amino]-3-[4-[hydroxy(phosphono)methyl]phenyl]propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[3-(6-chloro-1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)NC

DOS

IR

Vibrations