Geometry & MOs

Info

ID:

404325

PubChem CID:

135065893

Reduced:

PSN4O14C65H65 (1)

Stoich.:

ABC4D14E65F65 (1)

Weight, g/mol:

1258.473811

ΔHf, kcal/mol:

-431.13

Dipole, Da:

3.17

IP(EA), eV:

 -8.72(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-octa-1,2-dienylphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(CC#C)OC3CC(OC3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=C(C(=O)NC7=O)C)OC(C8=CC=CC=C8)(C9=CC=C(C=C9)OC)C1=CC=C(C=C1)OC

DOS

IR

Vibrations