Geometry & MOs

Info

ID:	321982
PubChem CID:	126667656
Reduced:	ClON5C15H18 (1)
Stoich.:	ABC5D15E18 (1)
Weight, g/mol:	419.110376
ΔH_f, kcal/mol:	32.6
Dipole, Da:	4.71
IP(EA), eV:	-8.83(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-cyano-2-[N-cyclobutyl-3-fluoro-4-(2-sulfanylethynyl)anilino]-1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CN[C@H]1CCC[C@@H]1NC(=O)C2=C(C=CC(=C2)Cl)N3N=CC=N3

DOS

IR

Vibrations