Geometry & MOs

Info

ID:	163364
PubChem CID:	57855005
Reduced:	SO2N3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	508.16706
ΔH_f, kcal/mol:	28.37
Dipole, Da:	4.14
IP(EA), eV:	-8.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2C3=CC4=C(C=C3)SC(=C4)C(=N)N

DOS

IR

Vibrations