Geometry & MOs

Info

ID:	444741
PubChem CID:	135263407
Reduced:	FOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-87.89
Dipole, Da:	1.76
IP(EA), eV:	-9.35(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-[2-(4-propoxyphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCC(=CC1=CC=C(C=C1)F)/C=C(\C)/CO

DOS

IR

Vibrations