Geometry & MOs

Info

ID:	344348
PubChem CID:	127267524
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	332.155849
ΔH_f, kcal/mol:	-30.62
Dipole, Da:	5.34
IP(EA), eV:	-9.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylbenzoyl)-N-(thietan-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=NC(=NN1)C2CCOC2)SC3=CC=CC=C3

DOS

IR

Vibrations