Geometry & MOs

Info

ID:	224057
PubChem CID:	85337656
Reduced:	N2O6F7C21H21 (1)
Stoich.:	A2B6C7D21E21 (1)
Weight, g/mol:	532.187733
ΔH_f, kcal/mol:	-606.85
Dipole, Da:	3.28
IP(EA), eV:	-10.38(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[4-[2-[[3-[(2-cyano-1H-indol-4-yl)oxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)NC(CC(=O)O)C(=O)CF)C(=O)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations