Geometry & MOs

Info

ID:	366868
PubChem CID:	127320728
Reduced:	SCl2N3O3C14H15 (1)
Stoich.:	AB2C3D3E14F15 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	5.84
IP(EA), eV:	-9.62(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(2-methylazepane-1-carbonyl)-1,5,6,7-tetrahydroindol-4-one

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CC2=CN3C=C(C=C(C3=N2)Cl)Cl

DOS

IR

Vibrations