Geometry & MOs

Info

ID:	144226
PubChem CID:	53334306
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	432.161997
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	4.3
IP(EA), eV:	-8.56(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-ethyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC(=O)NCCOC

DOS

IR

Vibrations