Geometry & MOs

Info

ID:	312555
PubChem CID:	126606496
Reduced:	F3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	263.130363
ΔH_f, kcal/mol:	-291.74
Dipole, Da:	6.04
IP(EA), eV:	-9.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-methyl-6-(methylaminomethyl)oxan-3-yl]-3-methylthiourea

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)OCO)OC2=O)C(F)(F)F

DOS

IR

Vibrations