Geometry & MOs

Info

ID:	21611
PubChem CID:	589213
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	249.118735
ΔH_f, kcal/mol:	-28.86
Dipole, Da:	1.59
IP(EA), eV:	-8.9(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(3-methyl-1-phenylbut-2-enyl) N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC(=CC(C1=CC=CC=C1)SC(=O)N(C)C)C

DOS

IR

Vibrations