Geometry & MOs

Info

ID:	36558
PubChem CID:	8008715
Reduced:	ClSO2N3C21H30 (1)
Stoich.:	ABC2D3E21F30 (1)
Weight, g/mol:	391.124215
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	1.93
IP(EA), eV:	-9.02(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methylphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CN(C)[C@@H](CNC(=O)CNC(=O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)Cl)C4=CC=CS4

DOS

IR

Vibrations