Geometry & MOs

Info

ID:	121519
PubChem CID:	50771864
Reduced:	FSO2N5H20C22 (1)
Stoich.:	ABC2D5E20F22 (1)
Weight, g/mol:	497.05211
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	4.96
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C(=C2)C(=O)NN=C3SCC(=O)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations