Geometry & MOs

Info

ID:	379293
PubChem CID:	134357121
Reduced:	F3O3N4C20H21 (1)
Stoich.:	A3B3C4D20E21 (1)
Weight, g/mol:	426.132589
ΔH_f, kcal/mol:	-209.99
Dipole, Da:	7.85
IP(EA), eV:	-8.29(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluoro-3-methoxyphenyl)-3-(methylaminomethyl)-1-pyridin-3-ylsulfanylindol-6-amine

Drug info:

PubChemData

Smile

C1CC(=C(N(C1)CC(=O)N/C(=C/C=C(/C2=CC=C(C=C2)C(F)(F)F)\N)/N)C=O)C=O

DOS

IR

Vibrations