Geometry & MOs

Info

ID:	427979
PubChem CID:	135165620
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	448.07234
ΔH_f, kcal/mol:	-27.64
Dipole, Da:	4.54
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@H](O[C@H](C1OC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)C)[C@H](C)N=[N+]=[N-]

DOS

IR

Vibrations