Geometry & MOs

Info

ID:

441652

PubChem CID:

135238619

Reduced:

N2F3O4C28H33 (1)

Stoich.:

A2B3C4D28E33 (1)

Weight, g/mol:

618.286506

ΔHf, kcal/mol:

-310.86

Dipole, Da:

7.27

IP(EA), eV:

 -8.98(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-7-[(1R,2R,3R,5S)-3-[2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]oxy-2-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)N2C3=C(C=C(C(=C3)OC)CCC(=O)O)N=C2CC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations