Geometry & MOs

Info

ID:	42170
PubChem CID:	8149264
Reduced:	SO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	3.07
IP(EA), eV:	-8.69(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R)-3-oxo-1-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C4=CC=C(C=C4)O)C

DOS

IR

Vibrations