Geometry & MOs

Info

ID:	221758
PubChem CID:	85286113
Reduced:	INSO2C8H8 (2)
Stoich.:	ABCD2E8F8 (2)
Weight, g/mol:	617.270545
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	1.89
IP(EA), eV:	-9.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;13,17-diethyl-2,3,4,7,8,12,18-heptamethyl-5-(4-methylphenyl)-5H-porphyrin-21,24-diide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)NCC=CCNS(=O)(=O)C2=CC=C(C=C2)I)I

DOS

IR

Vibrations