Geometry & MOs

Info

ID:

49650

PubChem CID:

11533452

Reduced:

O3N6C28H34 (1)

Stoich.:

A3B6C28D34 (1)

Weight, g/mol:

502.172272

ΔHf, kcal/mol:

-47.68

Dipole, Da:

0.97

IP(EA), eV:

 -8.31(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-5,5-dimethyl-2-sulfanylidene-N-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]-1,3,2lambda5-dioxaphosphinan-2-amine

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CN=C(C=C2N1CCC(C)C)NC3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)OC)C

DOS

IR

Vibrations