Geometry & MOs

Info

ID:

147819

PubChem CID:

53787477

Reduced:

OCl2N4C14H16 (1)

Stoich.:

AB2C4D14E16 (1)

Weight, g/mol:

832.492757

ΔHf, kcal/mol:

50.54

Dipole, Da:

5.86

IP(EA), eV:

 -9.68(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[18-[3-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=NOCC1=C(C=CC=C1Cl)Cl)N2C=NC=N2

DOS

IR

Vibrations