Geometry & MOs

Info

ID:	121508
PubChem CID:	50771822
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	409.120861
ΔH_f, kcal/mol:	-46.1
Dipole, Da:	4.58
IP(EA), eV:	-7.89(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-[[2-(furan-2-yl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)N4CCOCC4

DOS

IR

Vibrations