Geometry & MOs

Info

ID:	63814
PubChem CID:	26759243
Reduced:	ClSN2O6H19C20 (1)
Stoich.:	ABC2D6E19F20 (1)
Weight, g/mol:	384.091056
ΔH_f, kcal/mol:	-199.62
Dipole, Da:	6.35
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=C3)SC)Cl

DOS

IR

Vibrations