Geometry & MOs

Info

ID:	441436
PubChem CID:	135234675
Reduced:	ClF2N2O2H25C28 (1)
Stoich.:	AB2C2D2E25F28 (1)
Weight, g/mol:	472.267211
ΔH_f, kcal/mol:	-112.94
Dipole, Da:	1.78
IP(EA), eV:	-8.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-3-(methylideneamino)-2-(3-piperidin-1-ylpropylsulfanyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CN1CCC2=C(C1C3=C(C=C(C=C3Cl)C4=CC=C(C=C4)C(=O)O)F)NC5=CC=CC=C25)F

DOS

IR

Vibrations