Geometry & MOs

Info

ID:

391228

PubChem CID:

135003664

Reduced:

OH17C23 (2)

Stoich.:

AB17C23 (2)

Weight, g/mol:

350.195405

ΔHf, kcal/mol:

228.12

Dipole, Da:

4.61

IP(EA), eV:

 -7.66(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-1,1-dicyanopent-1-en-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=[O+]2)C3=CC=CC=C3)C(C4=C[CH]C=C4)C(C5=C[CH]C=C5)C6=CC(=[O+]C(=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations