Geometry & MOs

Info

ID:	212933
PubChem CID:	81062281
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	288.241293
ΔH_f, kcal/mol:	-62.65
Dipole, Da:	4.94
IP(EA), eV:	-9.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC=C(C=C1)C#CCN

DOS

IR

Vibrations