Geometry & MOs

Info

ID:

51335

PubChem CID:

12013982

Reduced:

O3H58C69 (1)

Stoich.:

A3B58C69 (1)

Weight, g/mol:

389.173942

ΔHf, kcal/mol:

215.71

Dipole, Da:

3.63

IP(EA), eV:

 -8.58(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-4-[(3S,4R,5S)-4-nitro-2,3-diphenyl-1,2-oxazolidin-5-yl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=C(C=C2C3=CC=C(C=C3)C#CC4=CC(=CC(=C4)C#C)C(C)(C)C)C5=CC=C(C=C5)OCCCOC(=O)C6=CC=CC=C6)C7=CC=C(C=C7)C#CC8=CC(=CC(=C8)C#C)C(C)(C)C

DOS

IR

Vibrations