Geometry & MOs

Info

ID:	70510
PubChem CID:	48413451
Reduced:	ClO2S2N3C18H18 (1)
Stoich.:	AB2C2D3E18F18 (1)
Weight, g/mol:	296.96684
ΔH_f, kcal/mol:	-13.62
Dipole, Da:	5.56
IP(EA), eV:	-8.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-6-chloropyrazin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CC=CC=C2Cl)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations