Geometry & MOs

Info

ID:	68703
PubChem CID:	46508935
Reduced:	BrNSO4C16H16 (1)
Stoich.:	ABCD4E16F16 (1)
Weight, g/mol:	387.075214
ΔH_f, kcal/mol:	-115.29
Dipole, Da:	3.04
IP(EA), eV:	-9.75(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl]methyl 3-(ethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)Br

DOS

IR

Vibrations