Geometry & MOs

Info

ID:	37784
PubChem CID:	8024382
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	357.145047
ΔH_f, kcal/mol:	-73.82
Dipole, Da:	2.72
IP(EA), eV:	-8.32(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations