Geometry & MOs

Info

ID:

193699

PubChem CID:

78426182

Reduced:

FN3O6C25H28 (1)

Stoich.:

AB3C6D25E28 (1)

Weight, g/mol:

808.289337

ΔHf, kcal/mol:

-247.04

Dipole, Da:

3.91

IP(EA), eV:

 -8.17(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(21-acetyloxy-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15-aza-30-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-30-yl)butanoate;dihydrochloride

Drug info:

PubChemData

Smile

CCCOC(=O)N(C[C@@H](CN1C(=O)C2=CC=CC=C2C1=O)O)C3=CC(=C(C=C3)N4CCOCC4)F

DOS

IR

Vibrations