Geometry & MOs

Info

ID:

385129

PubChem CID:

134978373

Reduced:

SiO4C22H30 (1)

Stoich.:

AB4C22D30 (1)

Weight, g/mol:

734.105012

ΔHf, kcal/mol:

-8.11

Dipole, Da:

3.44

IP(EA), eV:

 -9.02(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-1-yl-4-(naphthalen-1-ylamino)-2-phenyl-3',3'-bis(trifluoromethyl)spiro[1-thia-2lambda5-phosphacyclobut-3-ene-2,1'-2,1lambda5-benzoxaphosphole]-3-carbothioamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1C#C/C=C\C#CC2CCC1=C([C@@H]2C(=O)OC)OC

DOS

IR

Vibrations