Geometry & MOs

Info

ID:	37729
PubChem CID:	8023760
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	406.135114
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	9.56
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-quinolin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H](C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

DOS

IR

Vibrations