Geometry & MOs

Info

ID:	410053
PubChem CID:	135082842
Reduced:	FeN4O10H30C34 (1)
Stoich.:	AB4C10D30E34 (1)
Weight, g/mol:	680.191839
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	9.73
IP(EA), eV:	-8.88(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

zinc;5,10,15,20-tetraphenyl-2,3,7,8-tetrahydroporphyrin-23,24-diide

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=C(C(=C([N-]3)C=C4[C@@](C(=O)C(=N4)C=C5[C@@](C(=O)C(=N5)C=C1[N-]2)(C)CC(=O)O)(C)CC(=O)O)C)/C=C/C(=O)O)CCC(=O)O.[Fe+2]

DOS

IR

Vibrations