Geometry & MOs

Info

ID:	141511
PubChem CID:	52885968
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	353.98377
ΔH_f, kcal/mol:	33.13
Dipole, Da:	7.31
IP(EA), eV:	-9.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)sulfanyl-N-(5-fluoropyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1[C@H](ONC(=N1)C2=CC=CC=C2)CN3C(=NOC3=O)C4=CC=CC=C4

DOS

IR

Vibrations