Geometry & MOs

Info

ID:	287872
PubChem CID:	104296929
Reduced:	BrOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	396.94999
ΔH_f, kcal/mol:	10.92
Dipole, Da:	3.51
IP(EA), eV:	-8.77(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC(=CC=C2)C(=S)N)Br

DOS

IR

Vibrations