Geometry & MOs

Info

ID:

436691

PubChem CID:

135207592

Reduced:

Cl2N3O6C40H41 (1)

Stoich.:

A2B3C6D40E41 (1)

Weight, g/mol:

745.409086

ΔHf, kcal/mol:

-156.34

Dipole, Da:

17.01

IP(EA), eV:

 -8.26(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6,20-dihexyl-2,2-dimethyl-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-13-yl)-5-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate

Drug info:

PubChemData

Smile

CC1(C2=CC3=[N+](CCCC3=CC2=C(C4=C1C=C5C(=C4)CCCN5CCCCCC(=O)ON6C(=O)CCC6=O)C7=CC(=C(C=C7C(=O)[O-])Cl)Cl)C)C

DOS

IR

Vibrations