Geometry & MOs

Info

ID:	121515
PubChem CID:	50771843
Reduced:	FO2S2N5H14C18 (1)
Stoich.:	AB2C2D5E14F18 (1)
Weight, g/mol:	409.084475
ΔH_f, kcal/mol:	7.65
Dipole, Da:	4.12
IP(EA), eV:	-9.12(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NN3C(=C2)C(=O)NN=C3SCC(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations