Geometry & MOs

Info

ID:	61302
PubChem CID:	26708060
Reduced:	ClSN3O5H22C24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	397.00803
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	6.12
IP(EA), eV:	-9.18(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1R)-1-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations