Geometry & MOs

Info

ID:

47446

PubChem CID:

10532731

Reduced:

N5O9C35H63 (1)

Stoich.:

A5B9C35D63 (1)

Weight, g/mol:

702.341735

ΔHf, kcal/mol:

-500.94

Dipole, Da:

6.44

IP(EA), eV:

 -10.12(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[7,13-bis(2-hydroxyethyl)-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-20-phenyl-22,23-dihydroporphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCCCC1CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)[C@@H](C)CC)CC(C)C)[C@@H](C)O)CO)CC(C)C

DOS

IR

Vibrations