Geometry & MOs

Info

ID:	37684
PubChem CID:	8023197
Reduced:	S2N3O3C15H15 (1)
Stoich.:	A2B3C3D15E15 (1)
Weight, g/mol:	308.222569
ΔH_f, kcal/mol:	-50.13
Dipole, Da:	2.82
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-pentan-3-ylazanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C

DOS

IR

Vibrations