Geometry & MOs

Info

ID:	186713
PubChem CID:	77472014
Reduced:	SO4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	469.133924
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	4.46
IP(EA), eV:	-9.47(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexylidene]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C=CSC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations