Geometry & MOs

Info

ID:	36395
PubChem CID:	8005363
Reduced:	SN2O2F3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	344.080633
ΔH_f, kcal/mol:	-187.44
Dipole, Da:	4.68
IP(EA), eV:	-8.8(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CN2CCN1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations