Geometry & MOs

Info

ID:	214757
PubChem CID:	85083593
Reduced:	O13C29H46 (1)
Stoich.:	A13B29C46 (1)
Weight, g/mol:	602.231696
ΔH_f, kcal/mol:	-625.17
Dipole, Da:	3.14
IP(EA), eV:	-10.26(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1,3-dimethyl-4,5-bis[3-(trifluoromethyl)phenyl]-1,3,2-diazaphospholidin-2-yl]oxy]oct-1-ynyl-trimethylsilane

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C3(C(=O)OC(C3(COC(=O)C(C)(C)C)O)COC(=O)C(C)(C)C)OC2(COC(=O)C(C)(C)C)OC)C

DOS

IR

Vibrations