Geometry & MOs

Info

ID:	415014
PubChem CID:	135087994
Reduced:	SCl2N2O4C14H18 (1)
Stoich.:	AB2C2D4E14F18 (1)
Weight, g/mol:	314.154289
ΔH_f, kcal/mol:	-155.09
Dipole, Da:	5.41
IP(EA), eV:	-9.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[(1R)-1-(4-fluorophenyl)ethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations