Geometry & MOs

Info

ID:	196564
PubChem CID:	78848648
Reduced:	SO2N6C19H24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	413.134403
ΔH_f, kcal/mol:	92.58
Dipole, Da:	2.13
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)CN3CCN(CC3)CCCC4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations