Geometry & MOs

Info

ID:	218182
PubChem CID:	85089000
Reduced:	BrClNSO3H11C18 (1)
Stoich.:	ABCDE3F11G18 (1)
Weight, g/mol:	434.112123
ΔH_f, kcal/mol:	-48.84
Dipole, Da:	4.27
IP(EA), eV:	-9.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(piperidin-1-ylmethyl)-6-[[7-(trifluoromethyl)-1,5-naphthyridin-4-yl]imino]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)C3=CC=C(C=C3)Cl)Br

DOS

IR

Vibrations