Geometry & MOs

Info

ID:	350733
PubChem CID:	127279021
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-69.23
Dipole, Da:	3.38
IP(EA), eV:	-9.27(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpyrrolidin-1-yl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)Br)C(=O)N2CCCC2(C)C

DOS

IR

Vibrations