Geometry & MOs

Info

ID:

397970

PubChem CID:

135031192

Reduced:

O12C57H62 (1)

Stoich.:

A12B57C62 (1)

Weight, g/mol:

310.072035

ΔHf, kcal/mol:

-359.1

Dipole, Da:

3.85

IP(EA), eV:

 -9.15(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-4-propan-2-yl-2H-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC(=O)OC1[C@@H](OC([C@H](C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)O[C@H]5C(O[C@@H](C(C5OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC)COCC8=CC=CC=C8

DOS

IR

Vibrations