Geometry & MOs

Info

ID:

215704

PubChem CID:

85085113

Reduced:

O13N18C56H88 (1)

Stoich.:

A13B18C56D88 (1)

Weight, g/mol:

840.350957

ΔHf, kcal/mol:

-572.57

Dipole, Da:

3.43

IP(EA), eV:

 -9.06(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

2-(hydroxymethyl)-6-[2-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-23,24-dihydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations