Geometry & MOs

Info

ID:	57580
PubChem CID:	22425550
Reduced:	SO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-50.25
Dipole, Da:	12.36
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-(4-methylanilino)-3-(4-methylphenyl)sulfonyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations