Geometry & MOs

Info

ID:

298691

PubChem CID:

117654007

Reduced:

F2O4N5C19H19 (1)

Stoich.:

A2B4C5D19E19 (1)

Weight, g/mol:

624.263565

ΔHf, kcal/mol:

-159.24

Dipole, Da:

10.9

IP(EA), eV:

 -9.57(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[2-[[(S)-(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]-7-fluoro-1-benzofuran-2-yl]methoxy]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CN=C(C(=N1)C2=CC(=CC=C2)OC(F)F)OCC)N3C=NC(=N3)C(=O)O

DOS

IR

Vibrations