Geometry & MOs

Info

ID:	378231
PubChem CID:	134224307
Reduced:	FCl2O3H29C30 (1)
Stoich.:	AB2C3D29E30 (1)
Weight, g/mol:	429.033477
ΔH_f, kcal/mol:	-123.0
Dipole, Da:	6.73
IP(EA), eV:	-9.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,6-dichlorocyclohexa-1,3-diene-1-carbonyl)indol-1-yl]-3-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCC(C)C(CCC1=CC=C(C=C1)C(=O)O)CC2=C(C=CC=C2F)C(=C)C(=O)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations