Geometry & MOs

Info

ID:

439382

PubChem CID:

135229155

Reduced:

N5C18H27 (1)

Stoich.:

A5B18C27 (1)

Weight, g/mol:

829.429564

ΔHf, kcal/mol:

26.23

Dipole, Da:

3.68

IP(EA), eV:

 -8.75(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-[[2-[(1R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCC(CCC)NC1=NC(=NC=C1CCC2=CC=NC=C2)N

DOS

IR

Vibrations