Geometry & MOs

Info

ID:	154845
PubChem CID:	56314387
Reduced:	N2F3O3C21H31 (1)
Stoich.:	A2B3C3D21E31 (1)
Weight, g/mol:	444.081364
ΔH_f, kcal/mol:	-290.77
Dipole, Da:	0.95
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations