Geometry & MOs

Info

ID:	267531
PubChem CID:	103582630
Reduced:	BrClN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	321.95422
ΔH_f, kcal/mol:	19.29
Dipole, Da:	3.11
IP(EA), eV:	-8.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(1-oxothian-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC(C1)CCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations