Geometry & MOs

Info

ID:	195821
PubChem CID:	78736075
Reduced:	O5C21H24 (1)
Stoich.:	A5B21C24 (1)
Weight, g/mol:	366.00376
ΔH_f, kcal/mol:	-153.32
Dipole, Da:	2.0
IP(EA), eV:	-8.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bromophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)COC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)C

DOS

IR

Vibrations