Geometry & MOs

Info

ID:

399058

PubChem CID:

135037398

Reduced:

NSC13H14 (1)

Stoich.:

ABC13D14 (1)

Weight, g/mol:

235.120843

ΔHf, kcal/mol:

71.78

Dipole, Da:

1.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.858300

Charge, e:

 0

Chem-info

IUPAC name:

(3-methyl-1-oxobutan-2-yl) N-methyl-N-phenylcarbamate

Drug info:

PubChemData

Smile

C[C@H](C1=C([CH-]C=C1)SC2=CC=CC=C2)N

DOS

IR

Vibrations