Geometry & MOs

Info

ID:	123246
PubChem CID:	50839210
Reduced:	FN2O2S3H15C16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	436.094906
ΔH_f, kcal/mol:	-58.25
Dipole, Da:	6.95
IP(EA), eV:	-8.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-ethoxyphenyl)methyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CS2)C3=NC(=C(S3)C)C)F

DOS

IR

Vibrations