Geometry & MOs

Info

ID:

185193

PubChem CID:

77268443

Reduced:

N3O6C24H35 (1)

Stoich.:

A3B6C24D35 (1)

Weight, g/mol:

816.334599

ΔHf, kcal/mol:

-273.15

Dipole, Da:

4.9

IP(EA), eV:

 -8.84(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[2-[benzyl(phenylmethoxycarbonyl)amino]ethyl]-2-methyl-3-oxo-2-(phenoxymethyl)-7-(trifluoromethyl)-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=C(O1)C=C(C(=C2)C(=O)N(C3CCCN(C3)C(=O)O)C(C)C)C)CCCOC

DOS

IR

Vibrations