Geometry & MOs

Info

ID:	383926
PubChem CID:	134975980
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	299.954534
ΔH_f, kcal/mol:	-78.64
Dipole, Da:	3.77
IP(EA), eV:	-9.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3,3-trichloro-2-methylpropyl)sulfonylbenzene

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)C)[C@H](C)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations