Geometry & MOs

Info

ID:	384809
PubChem CID:	134977711
Reduced:	ClNPC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	196.092186
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	5.78
IP(EA), eV:	-8.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-ethyl 6-ethenylcyclohexene-1-carbothioate

Drug info:

PubChemData

Smile

CN(C)P1(CCCCC1)(C2=CC=CC=C2)Cl

DOS

IR

Vibrations