Geometry & MOs

Info

ID:	441082
PubChem CID:	135233027
Reduced:	OSN6C22H22 (1)
Stoich.:	ABC6D22E22 (1)
Weight, g/mol:	459.18413
ΔH_f, kcal/mol:	96.17
Dipole, Da:	5.91
IP(EA), eV:	-8.59(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(oxolan-3-ylmethylamino)quinolin-6-yl] 2-imino-5-(1-methylpyrazol-4-yl)pyridine-1-carboximidothioate

Drug info:

PubChemData

Smile

CC(=N)C1=CN2C(=NN=C2SC3=CC4=CC(=CN=C4C=C3)NC5CCOCC5)C=C1

DOS

IR

Vibrations