Geometry & MOs

Info

ID:	33375
PubChem CID:	7886139
Reduced:	SO2N3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	372.060235
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	4.65
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C5=C(S4)CCC5

DOS

IR

Vibrations