Geometry & MOs

Info

ID:

215567

PubChem CID:

85084916

Reduced:

O3N5C17H25 (3)

Stoich.:

A3B5C17D25 (3)

Weight, g/mol:

1044.06088

ΔHf, kcal/mol:

-348.81

Dipole, Da:

5.53

IP(EA), eV:

 -8.83(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[[1,3-dimethyl-2-selanylidene-4,5-bis[3-(trifluoromethyl)phenyl]-1,3,2lambda5-diazaphospholidin-2-yl]oxy]propan-2-yloxy]-1,3-dimethyl-2-selanylidene-4,5-bis[3-(trifluoromethyl)phenyl]-1,3,2lambda5-diazaphospholidine

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC4=CN=CN4)N

DOS

IR

Vibrations