Geometry & MOs

Info

ID:	58950
PubChem CID:	24723491
Reduced:	ClSO3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	385.94736
ΔH_f, kcal/mol:	-70.11
Dipole, Da:	3.73
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(4-iodophenyl)methanone

Drug info:

PubChemData

Smile

C1COC(O1)C2=CC=C(S2)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations