Geometry & MOs

Info

ID:	277106
PubChem CID:	103826744
Reduced:	BrClSN2O3H10C13 (1)
Stoich.:	ABCD2E3F10G13 (1)
Weight, g/mol:	318.99747
ΔH_f, kcal/mol:	-70.7
Dipole, Da:	3.82
IP(EA), eV:	-9.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(3-methoxypropyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations