Geometry & MOs

Info

ID:	230900
PubChem CID:	87572223
Reduced:	SN3F4O4H17C20 (1)
Stoich.:	AB3C4D4E17F20 (1)
Weight, g/mol:	365.06009
ΔH_f, kcal/mol:	-249.24
Dipole, Da:	4.38
IP(EA), eV:	-8.97(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[[1-(3-chlorophenyl)-5-cyano-2H-1,2-thiazol-3-yl]amino]-4-methyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

COC1=NC=C(C(=C1)C(F)(F)F)/C=C\C(=O)NCC2=CC(=C(C(=C2)F)NS(=O)(=O)C)C#C

DOS

IR

Vibrations