Geometry & MOs

Info

ID:

17531

PubChem CID:

503184

Reduced:

N4O5C39H58 (1)

Stoich.:

A4B5C39D58 (1)

Weight, g/mol:

662.440721

ΔHf, kcal/mol:

-245.85

Dipole, Da:

6.04

IP(EA), eV:

 -9.15(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)C3CCCCC3)O)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations