Geometry & MOs

Info

ID:

51132

PubChem CID:

12013756

Reduced:

Cl2N3O3H31C39 (1)

Stoich.:

A2B3C3D31E39 (1)

Weight, g/mol:

546.215472

ΔHf, kcal/mol:

76.19

Dipole, Da:

7.92

IP(EA), eV:

 -8.54(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-4-methyl-3-phenyl-5H-1,2-oxazol-4-yl]-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1(C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)C5C(ON=C5C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)OC

DOS

IR

Vibrations