Geometry & MOs

Info

ID:	159633
PubChem CID:	57288561
Reduced:	SC2O2Br3H3 (1)
Stoich.:	AB2C2D3E3 (1)
Weight, g/mol:	325.059564
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	2.21
IP(EA), eV:	-9.47(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(methanesulfonamido)ethyl]-4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C(C(Br)(Br)Br)S(=O)O

DOS

IR

Vibrations