Geometry & MOs

Info

ID:

12719

PubChem CID:

144476

Reduced:

N4O6C37H42 (1)

Stoich.:

A4B6C37D42 (1)

Weight, g/mol:

638.310435

ΔHf, kcal/mol:

-52.43

Dipole, Da:

5.11

IP(EA), eV:

 -8.52(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[8-ethenyl-13-ethyl-18-[hydroxy(methoxy)methylidene]-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-3,21-dihydro-2H-porphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCC1=C(C2=NC1=CC3=C(C(=C(O)OC)C(=N3)C(=C4C(C(C(=CC5=NC(=C2)C(=C5C)C=C)N4)C)CCC(=O)OC)CC(=O)OC)C)C

DOS

IR

Vibrations