Geometry & MOs

Info

ID:

402208

PubChem CID:

135054936

Reduced:

SO37H128C144 (1)

Stoich.:

AB37C128D144 (1)

Weight, g/mol:

345.136493

ΔHf, kcal/mol:

-1102.59

Dipole, Da:

6.04

IP(EA), eV:

 -8.81(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-3-(2-methoxyphenyl)-N,N-diphenyloxirane-2-carboxamide

Drug info:

PubChemData

Smile

CCSC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations