Geometry & MOs

Info

ID:	242717
PubChem CID:	99205861
Reduced:	BrSN2O5C17H19 (1)
Stoich.:	ABC2D5E17F19 (1)
Weight, g/mol:	421.91612
ΔH_f, kcal/mol:	-150.68
Dipole, Da:	6.82
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl-(5-chlorothiophen-2-yl)sulfonylamino]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)S(=O)(=O)N(CC2=CC=C(C=C2)Br)CC(=O)N

DOS

IR

Vibrations