Geometry & MOs

Info

ID:

313213

PubChem CID:

126612609

Reduced:

NOH9C11 (2)

Stoich.:

ABC9D11 (2)

Weight, g/mol:

797.476121

ΔHf, kcal/mol:

81.31

Dipole, Da:

2.62

IP(EA), eV:

 -9.02(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-[[2-[(1R,3R)-1-ethoxy-3-[[(E)-hex-2-enyl]-[(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

C=CCC(C(=O)NC1=CC=CC(=C1)C#C)C(=O)NC2=CC=CC(=C2)C#C

DOS

IR

Vibrations