Geometry & MOs

Info

ID:	326493
PubChem CID:	126687662
Reduced:	NO5H25C26 (1)
Stoich.:	AB5C25D26 (1)
Weight, g/mol:	445.188923
ΔH_f, kcal/mol:	-170.4
Dipole, Da:	3.94
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-6-[[4-(6-methoxy-2,4-dimethylpyridin-3-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)NC(=C1C2=C3CC[C@H](C3=CC=C2)OC4=CC5=C(C=C4)[C@@H](CO5)CC(=O)O)C

DOS

IR

Vibrations