Geometry & MOs

Info

ID:

15634

PubChem CID:

446377

Reduced:

N2O2C17H21 (2)

Stoich.:

A2B2C17D21 (2)

Weight, g/mol:

570.320606

ΔHf, kcal/mol:

-117.79

Dipole, Da:

7.94

IP(EA), eV:

 -7.97(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4Z,10Z,14Z)-18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-1,20,21,22,23,24-hexahydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC\1=C(/C/2=C/C3=C(C(=C(N3)/C=C\4/C(=C(C(N4)CC5=C(C(=C(N5)/C=C1\N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C

DOS

IR

Vibrations