Geometry & MOs

Info

ID:	240722
PubChem CID:	93617194
Reduced:	FO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	347.10704
ΔH_f, kcal/mol:	-107.0
Dipole, Da:	6.77
IP(EA), eV:	-9.44(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-sulfonamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)CC(=O)N[C@@H]2CCCCNC2=O

DOS

IR

Vibrations