Geometry & MOs

Info

ID:	375879
PubChem CID:	134221873
Reduced:	NO5C30H33 (1)
Stoich.:	AB5C30D33 (1)
Weight, g/mol:	475.215887
ΔH_f, kcal/mol:	-177.02
Dipole, Da:	6.42
IP(EA), eV:	-8.61(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(2-fluorobenzoyl)-6-methyl-4-(4-methylphenyl)-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCN3C(=O)C4=CC(=CC=C4)OC)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations