Geometry & MOs

Info

ID:	281026
PubChem CID:	103852445
Reduced:	SN2O4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	200.006264
ΔH_f, kcal/mol:	-69.39
Dipole, Da:	8.61
IP(EA), eV:	-9.15(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorothiophen-2-yl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CN(C1CCSC1)C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O

DOS

IR

Vibrations