Geometry & MOs

Info

ID:

215616

PubChem CID:

85084989

Reduced:

SO11N18C46H80 (1)

Stoich.:

AB11C18D46E80 (1)

Weight, g/mol:

1094.274789

ΔHf, kcal/mol:

-459.85

Dipole, Da:

14.42

IP(EA), eV:

 -8.48(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[[1,3-dimethyl-4,5-bis[3-(trifluoromethyl)phenyl]-1,3,2-diazaphospholidin-2-yl]oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1,3-dimethyl-4,5-bis[3-(trifluoromethyl)phenyl]-1,3,2-diazaphospholidine

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N

DOS

IR

Vibrations