Geometry & MOs

Info

ID:

430342

PubChem CID:

135170406

Reduced:

FN10O17C49H57 (1)

Stoich.:

AB10C17D49E57 (1)

Weight, g/mol:

324.136159

ΔHf, kcal/mol:

-695.25

Dipole, Da:

6.73

IP(EA), eV:

 -9.15(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,6R,7S)-4-(2-methoxy-4-prop-1-ynylphenyl)-1-methyl-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CCC(CCC(=O)NC2=CC=C(C=C2)CC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3=CC=C(C=C3)N4C=C(N=N4)CCCF

DOS

IR

Vibrations