Geometry & MOs

Info

ID:	178538
PubChem CID:	76344366
Reduced:	BrNSO6C17H18 (1)
Stoich.:	ABCD6E17F18 (1)
Weight, g/mol:	488.108722
ΔH_f, kcal/mol:	-233.79
Dipole, Da:	3.88
IP(EA), eV:	-9.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)O)C(=O)OCCCN2C(=O)CSC2=CC(=O)OC

DOS

IR

Vibrations