Geometry & MOs

Info

ID:

219923

PubChem CID:

85165049

Reduced:

NO10C34H35 (1)

Stoich.:

AB10C34D35 (1)

Weight, g/mol:

617.440387

ΔHf, kcal/mol:

-348.56

Dipole, Da:

2.46

IP(EA), eV:

 -9.52(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[2-[2,4-dimethyloctanoyl(methyl)amino]-4-methylpentanoyl]amino]-3-phenylmethoxybutanoyl]-methylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OCC(C(=O)OCC2=CC=CC=C2)N=C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations