Geometry & MOs

Info

ID:	191326
PubChem CID:	78131990
Reduced:	F2O2S2N5C17H19 (1)
Stoich.:	A2B2C2D5E17F19 (1)
Weight, g/mol:	505.127603
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	5.93
IP(EA), eV:	-8.27(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[3-[4-[[2-[(1-methylpiperidin-4-yl)methylamino]-4-oxo-1,3-thiazol-5-ylidene]methyl]-1,3-thiazol-2-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(=C(C1=NC(=C(S1)N)C(=O)NC2=C(SN=C2)OCCCN)C(=CC=C)F)F

DOS

IR

Vibrations