Geometry & MOs

Info

ID:	129359
PubChem CID:	51072377
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	335.155515
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	3.61
IP(EA), eV:	-8.8(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SCC(=O)NCCCOC)C

DOS

IR

Vibrations