Geometry & MOs

Info

ID:	225436
PubChem CID:	85786828
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	218.962062
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	7.23
IP(EA), eV:	-9.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2,2-trichloro-1-hydroxyethyl)propanamide

Drug info:

PubChemData

Smile

C1CC(=O)CCC1S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations