Geometry & MOs

Info

ID:	127150
PubChem CID:	50992952
Reduced:	O2N3F6H23C28 (1)
Stoich.:	A2B3C6D23E28 (1)
Weight, g/mol:	411.10848
ΔH_f, kcal/mol:	-122.92
Dipole, Da:	7.27
IP(EA), eV:	-8.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(5-chloro-2,3-dihydroindol-1-yl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CN(C)[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)NC3=C(C(=O)C3=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations