Geometry & MOs

Info

ID:	16840
PubChem CID:	477444
Reduced:	BrSN2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	303.96698
ΔH_f, kcal/mol:	89.56
Dipole, Da:	3.12
IP(EA), eV:	-9.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylsulfanyl]pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CSC2=NC=CC(=C2)C#N

DOS

IR

Vibrations