Geometry & MOs

Info

ID:	242591
PubChem CID:	97857498
Reduced:	SF2N2O2C16H18 (1)
Stoich.:	AB2C2D2E16F18 (1)
Weight, g/mol:	331.14514
ΔH_f, kcal/mol:	-136.92
Dipole, Da:	2.69
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-4-[(dimethylamino)methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)F)F)NC2=CC=C(C=C2)CNS(=O)(=O)C

DOS

IR

Vibrations