Geometry & MOs

Info

ID:	312964
PubChem CID:	126610506
Reduced:	NO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	347.12634
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	4.3
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,4S)-4-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]-2,3-dihydroxycyclopentyl]methyl sulfamate

Drug info:

PubChemData

Smile

CCCCCCOC1CCC(CC1)C2=CC=C(C=C2)OCOC(=O)C3=CC(=CC(=C3)N)N

DOS

IR

Vibrations