Geometry & MOs

Info

ID:	133076
PubChem CID:	51474326
Reduced:	S2O3N4H20C22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	351.04444
ΔH_f, kcal/mol:	16.15
Dipole, Da:	5.71
IP(EA), eV:	-8.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(4-chlorophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CCSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

DOS

IR

Vibrations