Geometry & MOs

Info

ID:	353024
PubChem CID:	127284174
Reduced:	SN4O5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	359.177982
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	3.38
IP(EA), eV:	-9.51(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpiperidin-2-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations