Geometry & MOs

Info

ID:

432740

PubChem CID:

135172877

Reduced:

O2F3N4C27H29 (1)

Stoich.:

A2B3C4D27E29 (1)

Weight, g/mol:

975.535092

ΔHf, kcal/mol:

-169.81

Dipole, Da:

6.57

IP(EA), eV:

 -8.89(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[2-[[(2S)-2-[6-[3-(aminomethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-(2-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations