Geometry & MOs

Info

ID:	326766
PubChem CID:	126688157
Reduced:	F3O4N5C38H44 (1)
Stoich.:	A3B4C5D38E44 (1)
Weight, g/mol:	448.152889
ΔH_f, kcal/mol:	-237.16
Dipole, Da:	7.42
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-4-[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]purin-9-yl]-3-hydroxy-2-methoxybutyl] sulfamate

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)OC(C)(C)C)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations