Geometry & MOs

Info

ID:	291983
PubChem CID:	114000271
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	288.13953
ΔH_f, kcal/mol:	-96.53
Dipole, Da:	1.35
IP(EA), eV:	-8.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[(3-methylcyclohexyl)sulfonylmethyl]cyclopropyl]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)CSCC2(CC2)CC(=O)OC

DOS

IR

Vibrations