Geometry & MOs

Info

ID:

215612

PubChem CID:

85084985

Reduced:

NO15C61H103 (1)

Stoich.:

AB15C61D103 (1)

Weight, g/mol:

1092.285661

ΔHf, kcal/mol:

-811.23

Dipole, Da:

6.72

IP(EA), eV:

 -8.98(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-[5-[1,3-bis(3,5-dichlorophenyl)imidazolidin-2-yl]-2,4-dioxo-1,3-diazinan-1-yl]-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C=CCCC=C(C)C=CCCCCCCC)OC(=O)C)OC(=O)C

DOS

IR

Vibrations