Geometry & MOs

Info

ID:	245188
PubChem CID:	99437838
Reduced:	S2N3O5C18H19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	487.084733
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	5.69
IP(EA), eV:	-8.89(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[4-[[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCSCC2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations