Geometry & MOs

Info

ID:	263926
PubChem CID:	103407870
Reduced:	ClNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	240.001178
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	2.24
IP(EA), eV:	-9.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)C2=CC(=CN=C2)OC(C)C

DOS

IR

Vibrations