Geometry & MOs

Info

ID:	42173
PubChem CID:	8149267
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	3.33
IP(EA), eV:	-8.59(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)NC3=CC=C(C=C3)C(C)(C)C)C

DOS

IR

Vibrations