Geometry & MOs

Info

ID:	204166
PubChem CID:	79921480
Reduced:	ClFO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	345.96968
ΔH_f, kcal/mol:	-178.73
Dipole, Da:	2.11
IP(EA), eV:	-9.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCOC2)CC1C(C3=C(C=C(C=C3)F)Cl)O

DOS

IR

Vibrations