Geometry & MOs

Info

ID:	165795
PubChem CID:	74599392
Reduced:	FSO2N3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	423.147744
ΔH_f, kcal/mol:	-46.62
Dipole, Da:	5.41
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-1,2,4-triazol-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2NC1=O)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)F

DOS

IR

Vibrations