Geometry & MOs

Info

ID:	135674
PubChem CID:	51913822
Reduced:	BrNSO6H18C20 (1)
Stoich.:	ABCD6E18F20 (1)
Weight, g/mol:	479.00382
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	7.27
IP(EA), eV:	-9.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate

Drug info:

PubChemData

Smile

C1[C@H](C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)COC3=CC(=CC=C3)Br

DOS

IR

Vibrations