Geometry & MOs

Info

ID:

85174

PubChem CID:

49872202

Reduced:

ClN2O3H29C33 (1)

Stoich.:

AB2C3D29E33 (1)

Weight, g/mol:

602.331564

ΔHf, kcal/mol:

-16.46

Dipole, Da:

7.61

IP(EA), eV:

 -8.9(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-acetyloxypropyl (3R)-3-[propan-2-yl-[2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-1,4-benzoxazine-6-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)OC1=CC=CC(=C1)C2=CC=CC=C2C3=NN(C(=C3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations