Geometry & MOs

Info

ID:	326812
PubChem CID:	126688246
Reduced:	O3F4N4H22C23 (1)
Stoich.:	A3B4C4D22E23 (1)
Weight, g/mol:	432.110356
ΔH_f, kcal/mol:	-271.27
Dipole, Da:	2.67
IP(EA), eV:	-8.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4R,5S)-4,5-dihydroxy-3-[4-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-oxabicyclo[3.1.0]hexan-6-yl] sulfamate

Drug info:

PubChemData

Smile

CC(C)(CN1C2=C(C=C(C=C2)N3CCCOC3=O)N=C1NC(=O)C4=CC(=CC=C4)C(F)(F)F)F

DOS

IR

Vibrations