Geometry & MOs

Info

ID:

425905

PubChem CID:

135130116

Reduced:

O5H17C19 (2)

Stoich.:

A5B17C19 (2)

Weight, g/mol:

728.393119

ΔHf, kcal/mol:

-287.63

Dipole, Da:

0.93

IP(EA), eV:

 -8.7(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[4-[[(2R,4S)-5-amino-1-(4-hydroxyphenyl)-4-methyl-5-oxopentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]propyl-[(3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl butanoate

Drug info:

PubChemData

Smile

C=CC(=O)OCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OCCCOC(=O)C=C

DOS

IR

Vibrations