Geometry & MOs

Info

ID:	63172
PubChem CID:	26746573
Reduced:	SN3O5H19C22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	273.056799
ΔH_f, kcal/mol:	-94.35
Dipole, Da:	3.19
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)C[C@H]3C(=O)NC4=CC=CC=C4S3

DOS

IR

Vibrations