Geometry & MOs

Info

ID:	283400
PubChem CID:	103979557
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	360.02402
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	6.38
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylbenzamide

Drug info:

PubChemData

Smile

CCC(C)(C(=S)N)N1C(=O)C2CCCC2C1=O

DOS

IR

Vibrations