Geometry & MOs

Info

ID:

125419

PubChem CID:

50923503

Reduced:

N3O12C90H95 (1)

Stoich.:

A3B12C90D95 (1)

Weight, g/mol:

339.007153

ΔHf, kcal/mol:

-6.78

Dipole, Da:

13.1

IP(EA), eV:

 -6.66(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[chloro(dimethyl)silyl]sulfanylphenyl]-1-(2-chlorophenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=C2CC3=C(C(=CC(=C3)C(C)(C)C)CC4=CC(=CC5=C4OCC6=CC(=CC(=C6)COC7=C(CC8=CC(=CC(=C8OCC)CC9=C(C(=CC(=C9)C(C)(C)C)C5)OCC)C(C)(C)C)C=C(C=C7CC1=CC(=C2)C(C)(C)C)N1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-])N1C(=O)C2=CC=CC=C2C1=O)OCC

DOS

IR

Vibrations