Geometry & MOs

Info

ID:	66397
PubChem CID:	46504503
Reduced:	S2N5O5C26H33 (1)
Stoich.:	A2B5C5D26E33 (1)
Weight, g/mol:	560.187561
ΔH_f, kcal/mol:	-141.48
Dipole, Da:	2.52
IP(EA), eV:	-7.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations