Geometry & MOs

Info

ID:	425410
PubChem CID:	135126213
Reduced:	SF3N3O4C19H20 (1)
Stoich.:	AB3C3D4E19F20 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	-285.46
Dipole, Da:	8.58
IP(EA), eV:	-9.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-aminophenyl)sulfonylpyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)CO

DOS

IR

Vibrations