Geometry & MOs

Info

ID:	339650
PubChem CID:	127261640
Reduced:	SN4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	321.104817
ΔH_f, kcal/mol:	107.48
Dipole, Da:	4.99
IP(EA), eV:	-8.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyridin-2-yl-3-[(E)-1-quinolin-2-ylethylideneamino]thiourea

Drug info:

PubChemData

Smile

C/C(=N\NC(=S)NCC=C)/C1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations