Geometry & MOs

Info

ID:	420773
PubChem CID:	135114791
Reduced:	FOSN3C17H20 (1)
Stoich.:	ABCD3E17F20 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-39.56
Dipole, Da:	2.7
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)N2CCC3(CC2)C4=C(CCO3)SC=C4)F

DOS

IR

Vibrations