Geometry & MOs

Info

ID:	135711
PubChem CID:	51920664
Reduced:	SN2O5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	490.210387
ΔH_f, kcal/mol:	-141.08
Dipole, Da:	4.86
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OCC1=CSC(=N1)C2=CC=CC=C2OC)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations