Geometry & MOs

Info

ID:	246742
PubChem CID:	103064769
Reduced:	BrOSN3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	304.085719
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	3.08
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-N-(thiolan-3-yl)-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=C(N=CC(=C2)Br)N

DOS

IR

Vibrations