Geometry & MOs

Info

ID:	63770
PubChem CID:	26759155
Reduced:	ClNSF3O3H15C18 (1)
Stoich.:	ABCD3E3F15G18 (1)
Weight, g/mol:	329.085242
ΔH_f, kcal/mol:	-249.88
Dipole, Da:	2.26
IP(EA), eV:	-8.84(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations