Geometry & MOs

Info

ID:	36641
PubChem CID:	8010244
Reduced:	ClSN3O4H16C18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	396.060235
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	4.04
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-naphthalen-2-ylsulfanylacetate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations