Geometry & MOs

Info

ID:	245424
PubChem CID:	99444613
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	449.152161
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	2.29
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C2CC2)C(=O)/C=C/C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations