Geometry & MOs

Info

ID:	61189
PubChem CID:	26706851
Reduced:	BrSN3O3H20C23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	419.04021
ΔH_f, kcal/mol:	-33.26
Dipole, Da:	6.43
IP(EA), eV:	-8.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethoxy-N-propylbenzamide

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)Br

DOS

IR

Vibrations