Geometry & MOs

Info

ID:	134247
PubChem CID:	51668786
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	244.227654
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	4.78
IP(EA), eV:	-9.08(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-ethoxy-4-oxobutyl)-bis(2-methylpropyl)azanium

Drug info:

PubChemData

Smile

CC[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C[C@H](O[C@@H](C3)C)C

DOS

IR

Vibrations