Geometry & MOs

Info

ID:	323113
PubChem CID:	126672638
Reduced:	ClO2F3N7C26H27 (1)
Stoich.:	AB2C3D7E26F27 (1)
Weight, g/mol:	410.064504
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	10.06
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-[1-hydroxy-6-(trifluoromethyl)indol-3-yl]phenyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C(\N=C(\NC1=CC=CC=C1NC(=O)C=C)/N=C)/N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)/Cl

DOS

IR

Vibrations