Geometry & MOs

Info

ID:	135494
PubChem CID:	51880510
Reduced:	FSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	433.09283
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	3.98
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)[C@H](C)SC2=CC=C(C=C2)F

DOS

IR

Vibrations