Geometry & MOs

Info

ID:

164020

PubChem CID:

74381462

Reduced:

FO3N4H27C30 (1)

Stoich.:

AB3C4D27E30 (1)

Weight, g/mol:

731.379518

ΔHf, kcal/mol:

-40.4

Dipole, Da:

10.27

IP(EA), eV:

 -9.05(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=CC2=O)NC(CC3=CC=C(C=C3)N4C5=C(C=C(C=C5)F)N=C4C6=CN=CC=C6)C(=O)O

DOS

IR

Vibrations