Geometry & MOs

Info

ID:	155908
PubChem CID:	56368245
Reduced:	FSO3N5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	458.137239
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	7.98
IP(EA), eV:	-9.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(5-nitropyridin-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=NC=N2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations