Geometry & MOs

Info

ID:	321966
PubChem CID:	126667556
Reduced:	FOSN3H14C21 (1)
Stoich.:	ABCD3E14F21 (1)
Weight, g/mol:	193.131408
ΔH_f, kcal/mol:	58.43
Dipole, Da:	7.61
IP(EA), eV:	-8.54(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-amino-2-methoxyheptane-1,3,4-triol

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C(=C2)F)C#CS)C(=O)C3=C1NC4=C3C=CC(=C4)C#N

DOS

IR

Vibrations