Geometry & MOs

Info

ID:	135673
PubChem CID:	51913463
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	479.00382
ΔH_f, kcal/mol:	-181.19
Dipole, Da:	3.82
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C[C@@]2(CC(C1)(C)C)C(=O)N(C(=O)N2)CC(=O)OCC3=CSC(=N3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations