Geometry & MOs

Info

ID:

15731

PubChem CID:

448241

Reduced:

SN4O5C33H34 (1)

Stoich.:

AB4C5D33E34 (1)

Weight, g/mol:

598.224991

ΔHf, kcal/mol:

-30.66

Dipole, Da:

8.07

IP(EA), eV:

 -8.24(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-8-(hydroxymethylidene)-3,7,12,17-tetramethyl-13-[(1S)-1-sulfanylethyl]-22H-porphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=NC1=CC3=C(C(=CO)C(=CC4=NC(=CC5=NC(=C2)C(=C5C)CCC(=O)O)C(=C4C)[C@H](C)S)N3)C)CCC(=O)O

DOS

IR

Vibrations