Geometry & MOs

Info

ID:	339649
PubChem CID:	127261639
Reduced:	SO2N3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	284.109568
ΔH_f, kcal/mol:	63.84
Dipole, Da:	4.47
IP(EA), eV:	-8.86(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-prop-2-enyl-3-[(E)-1-quinolin-2-ylethylideneamino]thiourea

Drug info:

PubChemData

Smile

C1=COC(=C1)/C=N/C(=S)N/N=C/C2=CC=CO2

DOS

IR

Vibrations