Geometry & MOs

Info

ID:	436706
PubChem CID:	135207872
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	430.180504
ΔH_f, kcal/mol:	50.39
Dipole, Da:	3.28
IP(EA), eV:	-8.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-1-[4-(4-fluoroanilino)-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl]-4-methylbicyclo[3.1.0]hexane-2,3-diol

Drug info:

PubChemData

Smile

CC1[C@H]2[C@@](C2([C@H]1O)O)(C)N3C=C(C4=C(N=CN=C43)NC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations