Geometry & MOs

Info

ID:	321223
PubChem CID:	126665392
Reduced:	OSN2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	388.14593
ΔH_f, kcal/mol:	-3.87
Dipole, Da:	6.17
IP(EA), eV:	-8.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-difluorophenyl)methyl]-4-[[(1S,2S)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=C(C=CNC2=O)N

DOS

IR

Vibrations