Geometry & MOs

Info

ID:

17229

PubChem CID:

489388

Reduced:

N2O5C24H37 (2)

Stoich.:

A2B5C24D37 (2)

Weight, g/mol:

866.540495

ΔHf, kcal/mol:

-509.28

Dipole, Da:

1.96

IP(EA), eV:

 -9.49(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S,6S)-2-butyl-4-hydroxy-4-(hydroxymethyl)-6-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]decanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCC[C@@H](CC(C[C@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)(CO)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations