Geometry & MOs

Info

ID:

296746

PubChem CID:

117591301

Reduced:

ClN5O11C37H56 (1)

Stoich.:

AB5C11D37E56 (1)

Weight, g/mol:

728.210506

ΔHf, kcal/mol:

-483.26

Dipole, Da:

12.12

IP(EA), eV:

 -8.82(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole;5-(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C.CC1CCC(CC1)NC(=O)N(CCCl)N=O

DOS

IR

Vibrations