Geometry & MOs

Info

ID:

15674

PubChem CID:

447120

Reduced:

N4O4C33H40 (1)

Stoich.:

A4B4C33D40 (1)

Weight, g/mol:

556.304956

ΔHf, kcal/mol:

173.38

Dipole, Da:

9.58

IP(EA), eV:

 -7.33(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z,10Z,14Z)-17-[2-(dioxiran-3-yl)ethyl]-7-ethenyl-2-ethyl-13-(3-hydroperoxypropyl)-3,8,18-trimethyl-1,20,21,22,23,24-hexahydroporphyrin

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)CC1N2)C)CCC6OO6)/N4)CCCOO)C)C=C)C

DOS

IR

Vibrations