Geometry & MOs

Info

ID:

395294

PubChem CID:

135025104

Reduced:

NSO3C26H27 (1)

Stoich.:

ABC3D26E27 (1)

Weight, g/mol:

679.302252

ΔHf, kcal/mol:

-48.97

Dipole, Da:

6.23

IP(EA), eV:

 -9.03(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[di(propan-2-yl)amino]-[[5-methyl-6-(4-nitrophenoxy)-3,4-bis(phenylmethoxy)oxan-2-yl]methoxy]phosphanyl]oxypropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C[C@H](N([C@H](O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C

DOS

IR

Vibrations