Geometry & MOs

Info

ID:	352211
PubChem CID:	127283290
Reduced:	SN3O4C16H23 (1)
Stoich.:	AB3C4D16E23 (1)
Weight, g/mol:	363.172896
ΔH_f, kcal/mol:	-155.63
Dipole, Da:	6.77
IP(EA), eV:	-9.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=C(C=CC=N2)CNC(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations