Geometry & MOs

Info

ID:	1743
PubChem CID:	4971
Reduced:	N2O2C17H17 (2)
Stoich.:	A2B2C17D17 (2)
Weight, g/mol:	562.258006
ΔH_f, kcal/mol:	-25.87
Dipole, Da:	6.44
IP(EA), eV:	-7.85(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C=C

DOS

IR

Vibrations