Geometry & MOs

Info

ID:	305374
PubChem CID:	124772404
Reduced:	S2N3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	288.204907
ΔH_f, kcal/mol:	-94.2
Dipole, Da:	8.1
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-[2-[[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]amino]ethylamino]-4-methyloxan-4-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)C2=CC(=CC=C2)NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3

DOS

IR

Vibrations