Geometry & MOs

Info

ID:

220106

PubChem CID:

85165248

Reduced:

N3O7C36H65 (1)

Stoich.:

A3B7C36D65 (1)

Weight, g/mol:

651.281024

ΔHf, kcal/mol:

-364.91

Dipole, Da:

4.82

IP(EA), eV:

 -8.58(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2-chloro-3-phenylpentanoyl)-6,7-bis(2,2-dimethylpropanoyloxy)-2-oxo-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(CC(O2)C)N(C)C)O)CCN(C)CCCNC)C)C)C

DOS

IR

Vibrations