Geometry & MOs

Info

ID:	89406
PubChem CID:	49961474
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-141.0
Dipole, Da:	6.43
IP(EA), eV:	-9.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations