Geometry & MOs

Info

ID:	64672
PubChem CID:	29203834
Reduced:	O2S2N3C19H21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	456.061378
ΔH_f, kcal/mol:	-49.86
Dipole, Da:	2.97
IP(EA), eV:	-8.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1C(=O)N(C(=N2)S[C@@H](C)C(=O)N)C3=CC=CC(=C3)C)C

DOS

IR

Vibrations