Geometry & MOs

Info

ID:

220156

PubChem CID:

85165305

Reduced:

CuO2N4C39H42 (1)

Stoich.:

AB2C4D39E42 (1)

Weight, g/mol:

600.346427

ΔHf, kcal/mol:

58.32

Dipole, Da:

0.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.332890

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2,3,7,8,12,13,17,18-octamethyl-6-[(4-methylphenyl)methyl]-21,24-dihydro-5H-porphyrin-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC23C(C4=NC(=CC5=NC(=CC6=C(C(=C([N-]6)C=C([N-]2)C(=C3C)C)C)C)C(=C5C)C)C(=C4C)C)CC(=O)OC.[Cu+2]

DOS

IR

Vibrations