Geometry & MOs

Info

ID:	427980
PubChem CID:	135165621
Reduced:	N2Cl3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-151.25
Dipole, Da:	6.69
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5S)-2-hydroxy-4-methyl-5-[(1S)-1-(prop-1-en-2-ylamino)ethyl]oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](O[C@H](C1OC(=O)C2=CC=CC=C2)OC(=N)C(Cl)(Cl)Cl)[C@H](C)NC(=C)C

DOS

IR

Vibrations