Geometry & MOs

Info

ID:	326711
PubChem CID:	126688069
Reduced:	SO5N6C19H22 (1)
Stoich.:	AB5C6D19E22 (1)
Weight, g/mol:	528.03282
ΔH_f, kcal/mol:	-121.22
Dipole, Da:	3.91
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCC2=C3C(=NC=N2)N(C=N3)[C@H]4CC[C@H](O4)COS(=O)(=O)N

DOS

IR

Vibrations