Geometry & MOs

Info

ID:	258294
PubChem CID:	103152710
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	257.156184
ΔH_f, kcal/mol:	-167.02
Dipole, Da:	7.39
IP(EA), eV:	-8.78(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methoxybutane-1,4-diamine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCCSC1=CC=CC=C1

DOS

IR

Vibrations