Geometry & MOs

Info

ID:

48709

PubChem CID:

11528251

Reduced:

SO14N15C55H97 (1)

Stoich.:

AB14C15D55E97 (1)

Weight, g/mol:

1224.513886

ΔHf, kcal/mol:

-697.35

Dipole, Da:

9.02

IP(EA), eV:

 -9.02(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,5-ditert-butylphenyl)-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]porphyrin-22,24-diide;gold(3+);tetrafluoroborate

Drug info:

PubChemData

Smile

CCCCCCCCCCS(=O)(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O

DOS

IR

Vibrations