Geometry & MOs

Info

ID:	38940
PubChem CID:	8138203
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	416.095454
ΔH_f, kcal/mol:	-172.33
Dipole, Da:	4.16
IP(EA), eV:	-9.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-methyl-N-[3-[(1H-pyrrole-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H](C1=CC=CC=C1)OC(=O)CNS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations