Geometry & MOs

Info

ID:

15554

PubChem CID:

444126

Reduced:

SN2O2C17H19 (2)

Stoich.:

AB2C2D17E19 (2)

Weight, g/mol:

630.233448

ΔHf, kcal/mol:

-70.92

Dipole, Da:

9.68

IP(EA), eV:

 -7.97(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis[(1R)-1-sulfanylethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)[C@@H](C)S)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)[C@@H](C)S

DOS

IR

Vibrations