Geometry & MOs

Info

ID:

47380

PubChem CID:

10532089

Reduced:

O12C33H44 (1)

Stoich.:

A12B33C44 (1)

Weight, g/mol:

632.4149

ΔHf, kcal/mol:

-439.47

Dipole, Da:

2.32

IP(EA), eV:

 -9.56(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-5-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxo-4-(tetradecanoylamino)pentanoic acid

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)O[C@@H]1CC[C@]23CO[C@@]([C@H]2[C@]4([C@@H]([C@H]5[C@H]3[C@@]1(CO5)C)O[C@]6([C@@]4([C@@H]7C[C@H]6[C@]8(C=CO[C@H]8O7)O)O)C)C)(C(=O)OC)OC

DOS

IR

Vibrations