Geometry & MOs

Info

ID:	63805
PubChem CID:	26759223
Reduced:	ClSN2O4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	405.047143
ΔH_f, kcal/mol:	-93.69
Dipole, Da:	7.76
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations