Geometry & MOs

Info

ID:	134296
PubChem CID:	51674922
Reduced:	NS2O5H19C25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	282.035552
ΔH_f, kcal/mol:	-56.71
Dipole, Da:	3.86
IP(EA), eV:	-9.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-chloro-1,3-benzodioxol-5-yl)methyl-(thiophen-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]3[C@@H]4[C@@H]1[C@@H]([C@H]2C(=O)OC5=CC=CC=C5[C@H]3C6=C(S4)N(C(=O)S6)C7=CC=CC=C7)C(=O)O

DOS

IR

Vibrations