Geometry & MOs

Info

ID:

40863

PubChem CID:

8144862

Reduced:

SO2N4C16H17 (1)

Stoich.:

AB2C4D16E17 (1)

Weight, g/mol:

328.099397

ΔHf, kcal/mol:

-6.51

Dipole, Da:

4.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.799999

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-2-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]acetamide

Drug info:

PubChemData

Smile

CNC(=O)C[NH2+]CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations