Geometry & MOs

Info

ID:

188393

PubChem CID:

77709949

Reduced:

ClN2S2F3O6C31H34 (1)

Stoich.:

AB2C2D3E6F31G34 (1)

Weight, g/mol:

652.446475

ΔHf, kcal/mol:

-365.94

Dipole, Da:

8.38

IP(EA), eV:

 -9.03(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3,16,17,18,19,20-hexaethyl-1-[1-(methylamino)-1-oxopropan-2-yl]-22,24-dihydro-20H-porphyrin-2-yl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)CCCSCC(C(=O)O)NC(=O)OC(C)(C)C)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations