Geometry & MOs

Info

ID:	398346
PubChem CID:	135032880
Reduced:	ClIO2C6H10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	339.033207
ΔH_f, kcal/mol:	-109.38
Dipole, Da:	1.69
IP(EA), eV:	-10.21(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloro-1-phenylpropan-2-yl)sulfonyl-4-nitrobenzene

Drug info:

PubChemData

Smile

CC(C(COC(=O)C)I)Cl

DOS

IR

Vibrations