Geometry & MOs

Info

ID:

11989

PubChem CID:

125706

Reduced:

ON2C17H19 (4)

Stoich.:

AB2C17D19 (4)

Weight, g/mol:

1068.598953

ΔHf, kcal/mol:

36.94

Dipole, Da:

3.88

IP(EA), eV:

 -8.31(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[10-[2-(hexanoylamino)phenyl]-15,20-bis[2-(1-hydroxyhexylamino)phenyl]porphyrin-5-yl]phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCCCC(NC1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7NC(=O)CCCCC)C8=CC=CC=C8NC(=O)CCCCC)C9=CC=CC=C9NC(CCCCC)O)O

DOS

IR

Vibrations