Geometry & MOs

Info

ID:

214847

PubChem CID:

85083737

Reduced:

O4C19H19 (2)

Stoich.:

A4B19C19 (2)

Weight, g/mol:

622.250144

ΔHf, kcal/mol:

-179.15

Dipole, Da:

4.88

IP(EA), eV:

 -8.43(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[3-(2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl)-2-methylsulfanyl-4-oxoazetidin-1-yl]-2-(4-phenylmethoxyphenyl)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)C(=O)C=CC4=CC(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations