Geometry & MOs

Info

ID:

218894

PubChem CID:

85090125

Reduced:

NSO7C28H29 (1)

Stoich.:

ABC7D28E29 (1)

Weight, g/mol:

523.257003

ΔHf, kcal/mol:

-205.84

Dipole, Da:

3.23

IP(EA), eV:

 -9.48(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-[[3-[(3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(=CC(C)(C)C)C2=O)S(=O)(=O)C1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations