Geometry & MOs

Info

ID:

32296

PubChem CID:

6436397

Reduced:

NCl2O4C36H53 (1)

Stoich.:

AB2C4D36E53 (1)

Weight, g/mol:

950.535134

ΔHf, kcal/mol:

-193.3

Dipole, Da:

4.56

IP(EA), eV:

 -8.47(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[(3-aminophenyl)methylidene]butanoic acid;14-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-1-hydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadecane-5,10-dione

Drug info:

PubChemData

Smile

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl

DOS

IR

Vibrations