Geometry & MOs

Info

ID:	85342
PubChem CID:	49874104
Reduced:	HgNC4O4H8 (2)
Stoich.:	ABC4D4E8 (2)
Weight, g/mol:	862.324884
ΔH_f, kcal/mol:	-115.35
Dipole, Da:	6.37
IP(EA), eV:	-9.51(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron(2+);2-methyl-1-[1-[3,8,12-trimethyl-7-[1-(2-methyl-3-oxopentyl)sulfanylethyl]-13,17-bis(3-oxobutyl)porphyrin-22,23-diid-2-yl]ethylsulfanyl]pentan-3-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(COC(CO1)(C)C[Hg])C[Hg].[N+](=O)(O)[O-].[N+](=O)(O)[O-]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(COC(CO1)(C)C[Hg])C[Hg].[N+](=O)(O)[O-].[N+](=O)(O)[O-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):