Geometry & MOs

Info

ID:	33210
PubChem CID:	7885400
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	408.99834
ΔH_f, kcal/mol:	-27.9
Dipole, Da:	2.96
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)C4=CC=CN4

DOS

IR

Vibrations