Geometry & MOs

Info

ID:	156387
PubChem CID:	56370386
Reduced:	NSO3H11C12 (2)
Stoich.:	ABC3D11E12 (2)
Weight, g/mol:	417.075174
ΔH_f, kcal/mol:	-186.52
Dipole, Da:	8.47
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CN3C(=O)C4=CC=CC=C4CS3(=O)=O

DOS

IR

Vibrations