Geometry & MOs

Info

ID:	215338
PubChem CID:	85084565
Reduced:	N3O12C43H67 (1)
Stoich.:	A3B12C43D67 (1)
Weight, g/mol:	817.23113
ΔH_f, kcal/mol:	-595.62
Dipole, Da:	6.56
IP(EA), eV:	-8.93(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-(10,15,20-tripyridin-4-ylporphyrin-23,24-diid-5-yl)phenoxy]pentanoate;nickel(2+)

Drug info:

PubChemData

Smile

CC1(N(C(C(O1)C(=O)OC(CCCC(=O)OCC(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)CN3CCOCC3)CC4CCCCC4)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations