Geometry & MOs

Info

ID:	35300
PubChem CID:	7979653
Reduced:	BrNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	403.088972
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	5.0
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=CC=C(C=C2)Br)O

DOS

IR

Vibrations