Geometry & MOs

Info

ID:

409649

PubChem CID:

135082431

Reduced:

N4O5C36H46 (1)

Stoich.:

A4B5C36D46 (1)

Weight, g/mol:

622.351906

ΔHf, kcal/mol:

-213.13

Dipole, Da:

3.59

IP(EA), eV:

 -8.43(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[7,8,17,18-tetraethyl-13-(3-methoxy-3-oxopropyl)-3,12-dimethyl-22,24-dihydroporphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCC1=C2CC3=C(C(=C(N3)C(=O)C4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1C)N2)C)CCC(=O)OC)CCC(=O)OC)C)CC)C

DOS

IR

Vibrations