Geometry & MOs

Info

ID:	134297
PubChem CID:	51675189
Reduced:	ClNSO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	278.102631
ΔH_f, kcal/mol:	-3.9
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.140530
Charge, e:	1

Chem-info

IUPAC name:

[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=CC(=C2)C[NH2+]CC3=CC=CS3)Cl

DOS

IR

Vibrations