Geometry & MOs

Info

ID:	158828
PubChem CID:	56479472
Reduced:	F2S2O3N4H14C20 (1)
Stoich.:	A2B2C3D4E14F20 (1)
Weight, g/mol:	436.283826
ΔH_f, kcal/mol:	-121.41
Dipole, Da:	3.31
IP(EA), eV:	-8.99(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F)NC1=S

DOS

IR

Vibrations