Geometry & MOs

Info

ID:	245291
PubChem CID:	99443258
Reduced:	O2S2N7H19C20 (1)
Stoich.:	A2B2C7D19E20 (1)
Weight, g/mol:	409.093012
ΔH_f, kcal/mol:	99.95
Dipole, Da:	6.53
IP(EA), eV:	-8.72(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

DOS

IR

Vibrations