Geometry & MOs

Info

ID:	321744
PubChem CID:	126666919
Reduced:	S2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	402.16158
ΔH_f, kcal/mol:	-66.63
Dipole, Da:	2.64
IP(EA), eV:	-8.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations