Geometry & MOs

Info

ID:	364873
PubChem CID:	127316345
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-83.29
Dipole, Da:	6.61
IP(EA), eV:	-9.02(-0.52)
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]-3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3CCN(C(=O)C3)C

DOS

IR

Vibrations