Geometry & MOs

Info

ID:	162672
PubChem CID:	57551389
Reduced:	FN2O2H25C26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	446.164185
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	5.32
IP(EA), eV:	-8.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=CC=CC=C3COC4=CC=CC=C4

DOS

IR

Vibrations