Geometry & MOs

Info

ID:

85154

PubChem CID:

49872101

Reduced:

ClFN2O3H26C32 (1)

Stoich.:

ABC2D3E26F32 (1)

Weight, g/mol:

604.310829

ΔHf, kcal/mol:

-55.2

Dipole, Da:

4.38

IP(EA), eV:

 -9.23(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethoxycarbonyloxymethyl (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

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

DOS

IR

Vibrations