Geometry & MOs

Info

ID:	80734
PubChem CID:	49836537
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	164.006264
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	1.9
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl (E)-4-chlorobut-2-enethioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO/N=C/CCCOC(=O)C2=CC=CC=C2

DOS

IR

Vibrations