Geometry & MOs

Info

ID:	121529
PubChem CID:	50772006
Reduced:	O2S2N5H19C20 (1)
Stoich.:	A2B2C5D19E20 (1)
Weight, g/mol:	371.068825
ΔH_f, kcal/mol:	44.47
Dipole, Da:	4.68
IP(EA), eV:	-8.99(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-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=CC=C(C=C1)CCCNC(=O)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CS4

DOS

IR

Vibrations