Geometry & MOs

Info

ID:	396537
PubChem CID:	135028694
Reduced:	NSH19C21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	331.079763
ΔH_f, kcal/mol:	93.06
Dipole, Da:	5.64
IP(EA), eV:	-8.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-methyl-N-[(E)-3-phenylprop-2-enyl]ethanethioamide

Drug info:

PubChemData

Smile

CN(C/C=C/C1=CC=CC=C1)C(=S)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations