Geometry & MOs

Info

ID:	38080
PubChem CID:	8026839
Reduced:	OF3N5H18C21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	355.056152
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	5.64
IP(EA), eV:	-9.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)CN4C=CC(=N4)C(F)(F)F

DOS

IR

Vibrations