Geometry & MOs

Info

ID:	121509
PubChem CID:	50771828
Reduced:	SO3N5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	433.157246
ΔH_f, kcal/mol:	5.15
Dipole, Da:	2.87
IP(EA), eV:	-9.21(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-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=CC(=C1NC(=O)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CO4)C

DOS

IR

Vibrations