Geometry & MOs

Info

ID:	321812
PubChem CID:	126667009
Reduced:	F2O3N6C19H24 (1)
Stoich.:	A2B3C6D19E24 (1)
Weight, g/mol:	469.167394
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	3.41
IP(EA), eV:	-9.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[(2R,4S)-4-fluoro-1-[4-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carbonyl]pyrrolidin-2-yl]benzonitrile

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C[C@H]([C@@H](C1)O)NC2C3C(=NNC3=NC=N2)C(=O)N[C@H](CO)C4CC(=CC=C4F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C[C@H]([C@@H](C1)O)NC2C3C(=NNC3=NC=N2)C(=O)N[C@H](CO)C4CC(=CC=C4F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):