Geometry & MOs

Info

ID:	146250
PubChem CID:	53659285
Reduced:	O8C29H58 (1)
Stoich.:	A8B29C58 (1)
Weight, g/mol:	473.117401
ΔH_f, kcal/mol:	-461.6
Dipole, Da:	5.79
IP(EA), eV:	-10.04(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-20-(1-methyl-2H-pyridin-5-yl)-21,23-dihydro-5H-porphyrin

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCOCCC(O)OC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

DOS

IR

Vibrations