Geometry & MOs

Info

ID:	280978
PubChem CID:	103852301
Reduced:	NSO2C10H19 (1)
Stoich.:	ABC2D10E19 (1)
Weight, g/mol:	299.9932
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	3.03
IP(EA), eV:	-8.68(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCOCC(=O)N(C)C1CCSC1

DOS

IR

Vibrations