Geometry & MOs

Info

ID:	323979
PubChem CID:	126676710
Reduced:	NOF2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	705.272001
ΔH_f, kcal/mol:	-140.16
Dipole, Da:	2.19
IP(EA), eV:	-9.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S,5S)-4-benzoyloxy-2-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]-5-(4-methylphenyl)sulfanyloxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1CNCC(C1C2=CC=CC(=C2)CO)(F)F

DOS

IR

Vibrations