Geometry & MOs

Info

ID:	366222
PubChem CID:	127319671
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	3.32
IP(EA), eV:	-8.3(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NC4CCCS(=O)(=O)C4

DOS

IR

Vibrations