Geometry & MOs

Info

ID:	176267
PubChem CID:	76021507
Reduced:	O7C25H32 (1)
Stoich.:	A7B25C32 (1)
Weight, g/mol:	710.131129
ΔH_f, kcal/mol:	-308.84
Dipole, Da:	5.18
IP(EA), eV:	-9.24(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-7,12-bis(carboxymethyl)-3,7,12,17-tetramethyl-8-oxido-13-oxo-21H-porphyrin-2-yl]prop-2-enoate;iron

Drug info:

PubChemData

Smile

CC1C(C(OC(C1O)OC2=CC3=C(C=C2)C4CCC5(C(C4CC3)CCC5=O)C)C(=O)O)O

DOS

IR

Vibrations