Geometry & MOs

Info

ID:	364940
PubChem CID:	127316588
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-70.98
Dipole, Da:	5.07
IP(EA), eV:	-8.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2CCC2)SC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations