Geometry & MOs

Info

ID:

45159

PubChem CID:

10508561

Reduced:

ClO4N5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

662.271605

ΔHf, kcal/mol:

-115.74

Dipole, Da:

13.43

IP(EA), eV:

 -8.4(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[13-(1-hydroxyethyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8-(1,2,2-trifluoroethenyl)-22,23-dihydroporphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OC(CC(=O)NNC(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C[N+](C)(C)C.[Cl-]

DOS

IR

Vibrations