Geometry & MOs

Info

ID:	188419
PubChem CID:	77715272
Reduced:	N2O3C32H40 (1)
Stoich.:	A2B3C32D40 (1)
Weight, g/mol:	419.134443
ΔH_f, kcal/mol:	-89.99
Dipole, Da:	6.62
IP(EA), eV:	-8.1(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-difluorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]-2-methylpentanoic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2=CC=C(C=C2)C(CCO)NC3=C(C=CC(=C3)OC)C4CCC5=C(C4)C=CC(=C5)O

DOS

IR

Vibrations