Geometry & MOs

Info

ID:	242733
PubChem CID:	99205896
Reduced:	BrNS3O4C14H16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	369.092932
ΔH_f, kcal/mol:	-110.66
Dipole, Da:	3.35
IP(EA), eV:	-9.11(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-thiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNS(=O)(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Br

DOS

IR

Vibrations