Geometry & MOs

Info

ID:	306046
PubChem CID:	125000901
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	377.115775
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	5.75
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(2S)-1-(dimethylsulfamoyl)pyrrolidin-2-yl]pyrazin-2-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@H]2CN(CCO2)C(=O)C3=CC4=CC=CC=C4S3)N

DOS

IR

Vibrations