Geometry & MOs

Info

ID:	444623
PubChem CID:	135263038
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	467.07322
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	5.07
IP(EA), eV:	-9.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-N-[(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C2(CC2)C(=O)OC)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations