Geometry & MOs

Info

ID:

317752

PubChem CID:

126645667

Reduced:

ClFN2O4H16C18 (1)

Stoich.:

ABC2D4E16F18 (1)

Weight, g/mol:

496.164615

ΔHf, kcal/mol:

-144.67

Dipole, Da:

3.39

IP(EA), eV:

 -9.14(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(1R,2R,4R)-4-(difluoromethyl)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NO)CC3=C(C=C(C=C3)Cl)F)C

DOS

IR

Vibrations