Geometry & MOs

Info

ID:	14417
PubChem CID:	410947
Reduced:	N2O2C17H20 (2)
Stoich.:	A2B2C17D20 (2)
Weight, g/mol:	568.304956
ΔH_f, kcal/mol:	-89.68
Dipole, Da:	4.58
IP(EA), eV:	-7.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[18-(3-ethoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(C2=CC3=CC(=C(N3)C=C4C=C(C(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)OCC)C)N4)C)C)C

DOS

IR

Vibrations