Geometry & MOs

Info

ID:	337030
PubChem CID:	127256595
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	271.103085
ΔH_f, kcal/mol:	-99.62
Dipole, Da:	3.7
IP(EA), eV:	-8.07(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4-methylcyclohex-3-en-1-yl) isoindole-2-carbothioate

Drug info:

PubChemData

Smile

CCC(CC(=O)CC)OC(=O)CN1C=C2C=CC=CC2=C1

DOS

IR

Vibrations