Geometry & MOs

Info

ID:

432653

PubChem CID:

135172789

Reduced:

O4C19H27 (2)

Stoich.:

A4B19C27 (2)

Weight, g/mol:

775.489542

ΔHf, kcal/mol:

-363.12

Dipole, Da:

4.09

IP(EA), eV:

 -9.01(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-(3-fluorophenyl)-2-[[(2R,3R)-3-methoxy-3-[(3S)-2-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-methylpropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=C(C=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations