Geometry & MOs

Info

ID:	192537
PubChem CID:	78283244
Reduced:	OSN2H6C8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	417.121237
ΔH_f, kcal/mol:	56.86
Dipole, Da:	3.89
IP(EA), eV:	-9.42(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-benzoylbenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=C(O2)C3=CC=CS3

DOS

IR

Vibrations