Geometry & MOs

Info

ID:	62061
PubChem CID:	26717326
Reduced:	SCl2N3O4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	371.059217
ΔH_f, kcal/mol:	-138.43
Dipole, Da:	7.05
IP(EA), eV:	-9.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations