Geometry & MOs

Info

ID:	326712
PubChem CID:	126688070
Reduced:	ISN4O4C19H21 (1)
Stoich.:	ABC4D4E19F21 (1)
Weight, g/mol:	511.225326
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	5.66
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-[5-[3-(diethylamino)prop-1-ynyl]-4-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methyl sulfamate

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1COS(=O)(=O)N)N2C=C(C3=C(N=CN=C32)CCC4=CC=CC=C4)I

DOS

IR

Vibrations