Geometry & MOs

Info

ID:	266820
PubChem CID:	103579656
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	313.96217
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	5.82
IP(EA), eV:	-8.7(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-6-fluoropyridin-2-amine

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)CCCCC#N

DOS

IR

Vibrations