Geometry & MOs

Info

ID:	195339
PubChem CID:	78675471
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	288.196354
ΔH_f, kcal/mol:	-82.69
Dipole, Da:	3.82
IP(EA), eV:	-8.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]methyl-pentylazanium

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations