Geometry & MOs

Info

ID:	139654
PubChem CID:	52574913
Reduced:	ON3C13H29 (1)
Stoich.:	AB3C13D29 (1)
Weight, g/mol:	426.093266
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	3.18
IP(EA), eV:	-8.83(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)NCCCC(C)C

DOS

IR

Vibrations