Geometry & MOs

Info

ID:	139040
PubChem CID:	52463724
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	412.082782
ΔH_f, kcal/mol:	-157.65
Dipole, Da:	2.6
IP(EA), eV:	-10.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC(=O)C3=CC=C(C=C3)CO

DOS

IR

Vibrations