Geometry & MOs

Info

ID:	265382
PubChem CID:	103519080
Reduced:	BrClSN2O4H6C12 (1)
Stoich.:	ABCD2E4F6G12 (1)
Weight, g/mol:	293.98263
ΔH_f, kcal/mol:	-20.16
Dipole, Da:	2.47
IP(EA), eV:	-9.56(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfanyl-5-bromopyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SC2=C(C=NC=C2[N+](=O)[O-])Br)C(=O)O)Cl

DOS

IR

Vibrations