Geometry & MOs

Info

ID:	228986
PubChem CID:	87566680
Reduced:	ClFS3N4O4C24H28 (1)
Stoich.:	ABC3D4E4F24G28 (1)
Weight, g/mol:	425.167018
ΔH_f, kcal/mol:	-142.87
Dipole, Da:	3.76
IP(EA), eV:	-9.36(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(6-chloropyridin-3-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSSC\1CCN(C/C1=C\C2=CSN=N2)C(C3=CC=CC=C3F)C(=O)C4CC4)C(=O)O.Cl

DOS

IR

Vibrations