Geometry & MOs

Info

ID:	373957
PubChem CID:	131321707
Reduced:	ClOSF2H5C10 (1)
Stoich.:	ABCD2E5F10 (1)
Weight, g/mol:	253.011741
ΔH_f, kcal/mol:	-94.85
Dipole, Da:	4.68
IP(EA), eV:	-9.28(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-1-methyl-3-nitro-5-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2Cl)C(F)F)C=O

DOS

IR

Vibrations