Geometry & MOs

Info

ID:

380330

PubChem CID:

134970740

Reduced:

O2N4C37H41 (1)

Stoich.:

A2B4C37D41 (1)

Weight, g/mol:

574.330777

ΔHf, kcal/mol:

75.86

Dipole, Da:

3.62

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 3.613476

Charge, e:

0

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-22,24-dihydro-21H-porphyrin-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([N-]5)C(=C6C=CC=C6)C1=N2)CC)C)/N4)C)CCO)CCO)C)C

DOS

IR

Vibrations