Geometry & MOs

Info

ID:	315469
PubChem CID:	126626894
Reduced:	ON5C26H55 (1)
Stoich.:	AB5C26D55 (1)
Weight, g/mol:	544.262502
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	5.25
IP(EA), eV:	-8.7(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2S)-2-[4-[[(1R)-4-[2,6-dimethyl-4-(oxolan-3-ylmethoxy)phenyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NCCCC[C@H](C(=C)NCCCNCCCCNCCC)NC

DOS

IR

Vibrations