Geometry & MOs

Info

ID:	127178
PubChem CID:	50993454
Reduced:	ClNO8C20H20 (1)
Stoich.:	ABC8D20E20 (1)
Weight, g/mol:	437.087744
ΔH_f, kcal/mol:	-313.37
Dipole, Da:	7.19
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(7-chloro-3-formylindol-1-yl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)N2C=C(C3=C2C=C(C=C3)Cl)C=O

DOS

IR

Vibrations