Geometry & MOs

Info

ID:	364880
PubChem CID:	127316352
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	5.96
Dipole, Da:	4.44
IP(EA), eV:	-9.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations