Geometry & MOs

Info

ID:	211688
PubChem CID:	81049622
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	326.017971
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	4.3
IP(EA), eV:	-8.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluoro-5-methylphenyl)-(4-methylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)NC(=O)CC(C)C2CCCNC2

DOS

IR

Vibrations