Geometry & MOs

Info

ID:

432734

PubChem CID:

135172871

Reduced:

O4C18H23 (2)

Stoich.:

A4B18C23 (2)

Weight, g/mol:

1005.562056

ΔHf, kcal/mol:

-321.26

Dipole, Da:

4.18

IP(EA), eV:

 -8.4(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)C2=CC3=CC(=CC(=C3C=C2)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations