Geometry & MOs

Info

ID:	441117
PubChem CID:	135233160
Reduced:	F2O2N6H20C21 (1)
Stoich.:	A2B2C6D20E21 (1)
Weight, g/mol:	446.200114
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	3.18
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-aminopyrrolidin-1-yl)quinolin-6-yl] 5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-iminopyridine-1-carboximidothioate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CN=C2N1C=C(C=C2)C3=C(N=CN3CC(F)F)C4=CC=CC(=N4)C

DOS

IR

Vibrations