Geometry & MOs

Info

ID:

17230

PubChem CID:

489389

Reduced:

N4O9C48H72 (1)

Stoich.:

A4B9C48D72 (1)

Weight, g/mol:

848.52993

ΔHf, kcal/mol:

-412.21

Dipole, Da:

3.91

IP(EA), eV:

 -9.57(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2R)-2-[[2-[(2R)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hexyl]oxiran-2-yl]methyl]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCC[C@H](CC1(CO1)C[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations