Geometry & MOs

Info

ID:	49146
PubChem CID:	11528760
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	21.75
Dipole, Da:	5.1
IP(EA), eV:	-8.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-isothiocyanatophenyl)methyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=CC(=NC2=S)OC

DOS

IR

Vibrations