Geometry & MOs

Info

ID:	139673
PubChem CID:	52577810
Reduced:	FSN3O4C22H22 (1)
Stoich.:	ABC3D4E22F22 (1)
Weight, g/mol:	444.03546
ΔH_f, kcal/mol:	-123.81
Dipole, Da:	5.47
IP(EA), eV:	-8.95(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]-2,5-dimethylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NNC(=O)[C@H](C)OC3=CC=CC=C3F)C

DOS

IR

Vibrations