Geometry & MOs

Info

ID:

177452

PubChem CID:

76186572

Reduced:

O14C67H96 (1)

Stoich.:

A14B67C96 (1)

Weight, g/mol:

721.322889

ΔHf, kcal/mol:

-597.37

Dipole, Da:

3.65

IP(EA), eV:

 -8.58(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[(4-chlorophenyl)-(5-oxo-2H-furan-2-yl)methyl]amino]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC=CC=CC=CC=CC=CCC1C(C(OC(O1)(C)C)CC2CC(OC(O2)C3=CC=C(C=C3)OC)CC(CC4CC(OC(O4)(C)C)CC5CC(OC(O5)(C)C)C=CC(C)C(C(C)C)O)OCC6=CC=C(C=C6)OC)C

DOS

IR

Vibrations