Geometry & MOs

Info

ID:

48721

PubChem CID:

11528264

Reduced:

O6N9C31H44 (2)

Stoich.:

A6B9C31D44 (2)

Weight, g/mol:

1279.550421

ΔHf, kcal/mol:

-485.22

Dipole, Da:

11.34

IP(EA), eV:

 -8.31(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

chromium(3+);5,10,15,20-tetrakis[(1S,5S,8R,12R)-3-pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-trienyl]porphyrin-22,24-diide;tetrafluoroborate

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)NCC(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C

DOS

IR

Vibrations