Geometry & MOs

Info

ID:	127180
PubChem CID:	50993503
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	563.135837
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	1.22
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[4-chloro-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]indol-1-yl]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1CCCCC1)N2C(=O)COC3=CC=CC=C32

DOS

IR

Vibrations