Geometry & MOs

Info

ID:

432592

PubChem CID:

135172726

Reduced:

O2N4C27H30 (1)

Stoich.:

A2B4C27D30 (1)

Weight, g/mol:

719.446929

ΔHf, kcal/mol:

4.35

Dipole, Da:

5.43

IP(EA), eV:

 -8.61(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]acetyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-(2-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N1CCC(CC1)C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C5=CC=CC=C5

DOS

IR

Vibrations