Geometry & MOs

Info

ID:	176269
PubChem CID:	76021509
Reduced:	NSO3C18H31 (1)
Stoich.:	ABC3D18E31 (1)
Weight, g/mol:	632.172206
ΔH_f, kcal/mol:	-144.84
Dipole, Da:	4.92
IP(EA), eV:	-9.04(0.08)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3-[8',13'-bis(ethenyl)-17'-hydroxy-3',7',12',17'-tetramethyl-5-oxospiro[oxolane-2,18'-porphyrin-21,22-diide]-2'-yl]propanoic acid;iron

Drug info:

PubChemData

Smile

CC(=CCCC(=CCSCC(C(=O)O)N)C)CCC=C(C)CO

DOS

IR

Vibrations