Geometry & MOs

Info

ID:	36310
PubChem CID:	8001540
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	305.072179
ΔH_f, kcal/mol:	60.1
Dipole, Da:	8.15
IP(EA), eV:	-9.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC2=NN=NN2C3=CC=CC=C3

DOS

IR

Vibrations