Geometry & MOs

Info

ID:

437599

PubChem CID:

135226646

Reduced:

NH47C54 (1)

Stoich.:

AB47C54 (1)

Weight, g/mol:

376.142307

ΔHf, kcal/mol:

172.64

Dipole, Da:

2.01

IP(EA), eV:

 -8.12(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C/C(=C(\C=C/CN(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)/C6=C7C8=CC=CC=C8C(C7=CC=C6)(C)C)/C9=CC=CC=C91)C

DOS

IR

Vibrations