Geometry & MOs

Info

ID:	441065
PubChem CID:	135232988
Reduced:	NO2C34H43 (1)
Stoich.:	AB2C34D43 (1)
Weight, g/mol:	406.157581
ΔH_f, kcal/mol:	26.26
Dipole, Da:	3.35
IP(EA), eV:	-8.51(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-morpholin-4-ylquinolin-6-yl) 5-ethanimidoyl-2-iminopyridine-1-carboximidothioate

Drug info:

PubChemData

Smile

CCC1=CC=C(CC=C1)/C(=C/C(=CC)C2=CC(=CC(=C2N=O)C3=C(CCC=C3)C(C)C)C(C)(C)C)/OC

DOS

IR

Vibrations