Geometry & MOs

Info

ID:

401292

PubChem CID:

135050831

Reduced:

OSN2H17C18 (1)

Stoich.:

ABC2D17E18 (1)

Weight, g/mol:

280.067034

ΔHf, kcal/mol:

30.14

Dipole, Da:

4.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762855

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-N-phenacylsulfanylbenzenecarboximidoyl cyanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N[N+]2=CC(=C(S2)C)C3=CC=CC=C3

DOS

IR

Vibrations