Geometry & MOs

Info

ID:	268099
PubChem CID:	103597866
Reduced:	SN2O2F3C15H15 (1)
Stoich.:	AB2C2D3E15F15 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-184.7
Dipole, Da:	6.18
IP(EA), eV:	-9.23(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-cyanoethyl)indol-3-yl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C=CC(=O)NCCCOCC(F)(F)F

DOS

IR

Vibrations