Geometry & MOs

Info

ID:	246741
PubChem CID:	103064768
Reduced:	OSF2N2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	300.98845
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	5.1
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-bromo-N-(thiolan-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1F)C(=O)NC2CCSC2)F

DOS

IR

Vibrations