Geometry & MOs

Info

ID:	302559
PubChem CID:	124385077
Reduced:	SO5N6C23H36 (1)
Stoich.:	AB5C6D23E36 (1)
Weight, g/mol:	292.98738
ΔH_f, kcal/mol:	-211.16
Dipole, Da:	7.31
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(4-bromophenyl)sulfanylethyl]pyridine

Drug info:

PubChemData

Smile

C[C@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NC[C@H](C3)C

DOS

IR

Vibrations