Geometry & MOs

Info

ID:	156754
PubChem CID:	56374189
Reduced:	N2O2F3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	417.010757
ΔH_f, kcal/mol:	-211.17
Dipole, Da:	3.94
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCCC2)NC(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations