Geometry & MOs

Info

ID:	163598
PubChem CID:	58097295
Reduced:	OS2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	351.0041
ΔH_f, kcal/mol:	68.83
Dipole, Da:	3.08
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-[(5-bromopyridin-2-yl)hydrazinylidene]methyl]phenyl]sulfanylethanol

Drug info:

PubChemData

Smile

CCCSC1=CC=CC=C1C2=NN=C3N2C=C(C=C3)SC4=CC=CC=C4CO

DOS

IR

Vibrations