Geometry & MOs

Info

ID:

299056

PubChem CID:

117670395

Reduced:

NOH27C43 (1)

Stoich.:

ABC27D43 (1)

Weight, g/mol:

472.154467

ΔHf, kcal/mol:

300.32

Dipole, Da:

3.3

IP(EA), eV:

 -7.75(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7-[4-cyano-3-(trifluoromethyl)phenyl]-5-(4-methylphenyl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-8-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C35C6=C7C(=CC=C6)OC8=CC=CC=C8N7C9=CC=CC=C59)C=C(C=C4)C1=CC=CC=C1

DOS

IR

Vibrations