Geometry & MOs

Info

ID:	383176
PubChem CID:	134974748
Reduced:	NOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	27.58
Dipole, Da:	5.74
IP(EA), eV:	-7.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-prop-2-enylphenyl) N,N-diethylcarbamothioate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H]3CC[C@@H]3[S+](=N2)(C4=CC=CC=C4)[O-]

DOS

IR

Vibrations