Geometry & MOs

Info

ID:	170068
PubChem CID:	75192614
Reduced:	OSN6C8H11 (1)
Stoich.:	ABC6D8E11 (1)
Weight, g/mol:	920.241467
ΔH_f, kcal/mol:	92.19
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.906523
Charge, e:	0

Chem-info

IUPAC name:

iron(4+);3-[7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-1,2,3,11,12,18-hexahydroporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN2C(=[N+](C1=O)N)N=NC2=S

DOS

IR

Vibrations