Geometry & MOs

Info

ID:	323728
PubChem CID:	126675847
Reduced:	NO2C39H53 (1)
Stoich.:	AB2C39D53 (1)
Weight, g/mol:	353.179815
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	2.5
IP(EA), eV:	-7.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-5-amino-6-[(1R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-2-[(1R)-1,2-dihydroxyethyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC(=C(C=C1)OC2CCCCO2)N3C4=C(C=C(C=C4)C(C)(C)C)C5=C3C=CC(=C5)C(C)(C)C

DOS

IR

Vibrations