Geometry & MOs

Info

ID:	156680
PubChem CID:	56371669
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	431.06413
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	3.62
IP(EA), eV:	-9.26(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SC(C)C(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations