Geometry & MOs

Info

ID:

298835

PubChem CID:

117660361

Reduced:

ON4H20C21 (1)

Stoich.:

AB4C20D21 (1)

Weight, g/mol:

664.326085

ΔHf, kcal/mol:

79.17

Dipole, Da:

2.64

IP(EA), eV:

 -8.73(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)-[5-[2-[[(4-methoxy-2-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]-1-benzofuran-2-yl]methyl]azetidin-3-yl]carbamate

Drug info:

PubChemData

Smile

C=CC1=C(C=CC(=C1)C2=C3C(=CNC3=NC=C2)C#N)CN4CCOCC4

DOS

IR

Vibrations