Geometry & MOs

Info

ID:	429526
PubChem CID:	135169575
Reduced:	ClOSN3C8H10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	420.121385
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	4.06
IP(EA), eV:	-8.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-N-[5-chloro-6-(1,5-dihydrotriazol-2-yl)pyridin-3-yl]-2-(quinolin-5-yliminomethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(S(=O)C1)C2=C(C=C(C=N2)N)Cl

DOS

IR

Vibrations