Geometry & MOs

Info

ID:	34102
PubChem CID:	7889816
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	421.134779
ΔH_f, kcal/mol:	-150.34
Dipole, Da:	2.45
IP(EA), eV:	-9.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)OC(=O)CSC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations