Geometry & MOs

Info

ID:	209440
PubChem CID:	80673460
Reduced:	BrSN3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	378.94057
ΔH_f, kcal/mol:	51.26
Dipole, Da:	4.07
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-bromocyclobutyl)methyl]-2-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=C2SC=C3)Br

DOS

IR

Vibrations