Geometry & MOs

Info

ID:

437582

PubChem CID:

135226629

Reduced:

NO3H31C44 (1)

Stoich.:

AB3C31D44 (1)

Weight, g/mol:

434.147786

ΔHf, kcal/mol:

67.58

Dipole, Da:

1.39

IP(EA), eV:

 -7.95(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-4-oxo-3-[(3S,4R)-2-oxo-3-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C=CC(=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC7=C6OC8=CC=CC=C78)OC=O

DOS

IR

Vibrations