Geometry & MOs

Info

ID:	245268
PubChem CID:	99443235
Reduced:	FN2S2O5C19H23 (1)
Stoich.:	AB2C2D5E19F23 (1)
Weight, g/mol:	435.108662
ΔH_f, kcal/mol:	-232.49
Dipole, Da:	4.82
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C(C)C)F)C

DOS

IR

Vibrations