Geometry & MOs

Info

ID:	61316
PubChem CID:	26708128
Reduced:	SCl2N3O3C21H21 (1)
Stoich.:	AB2C3D3E21F21 (1)
Weight, g/mol:	442.95547
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	7.31
IP(EA), eV:	-9.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations