Geometry & MOs

Info

ID:

380329

PubChem CID:

134970739

Reduced:

Cl2N4C37H40 (1)

Stoich.:

A2B4C37D40 (1)

Weight, g/mol:

573.322952

ΔHf, kcal/mol:

143.25

Dipole, Da:

2.32

IP(EA), eV:

 -8.4(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(1Z,4Z,14Z)-10-cyclopenta-2,4-dien-1-ylidene-8,12-diethyl-18-(2-hydroxyethyl)-3,7,13,17-tetramethyl-21,24-dihydroporphyrin-22-id-2-yl]ethanol

Drug info:

PubChemData

Smile

CCC1=C(/C/2=C/C3=C(C(=C(N3)/C=C\4/C(=C(/C(=C/C5=C(C(=C(N5)C(=C6C=CC=C6)C1=N2)CC)C)/N4)C)CCCl)CCCl)C)C

DOS

IR

Vibrations