Geometry & MOs

Info

ID:

164608

PubChem CID:

74426007

Reduced:

PZnN8O8C109H139 (1)

Stoich.:

ABC8D8E109F139 (1)

Weight, g/mol:

1722.064355

ΔHf, kcal/mol:

-119.1

Dipole, Da:

11.64

IP(EA), eV:

 -8.77(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[5-[2-[4-[15-(3,5-ditert-butylphenyl)-2,8,12,18-tetrahexyl-3,7,13,17-tetramethyl-23,24-dihydroporphyrin-5-yl]phenyl]ethynyl]-2,4-dioxo-1,3-diazinan-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Drug info:

PubChemData

Smile

CCCCCCC1=C(C2=C(C3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C(=C5C(=C(C(=N5)C=C1[N-]2)CCCCCC)C)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C)CCCCCC)CCCCCC)C)C7=CC=C(C=C7)C#CC8CN(C(=O)NC8=O)C9CC(C(O9)COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)OP(N(C(C)C)C(C)C)OCCC#N)C.[Zn+2]

DOS

IR

Vibrations