Geometry & MOs

Info

ID:	38420
PubChem CID:	8036659
Reduced:	OSF2N3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	2.33
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[(5S)-4-oxo-2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](COC)NC1=NN=C(CS1)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations