Geometry & MOs

Info

ID:	441956
PubChem CID:	135247087
Reduced:	FO2N5H26C29 (1)
Stoich.:	AB2C5D26E29 (1)
Weight, g/mol:	233.14495
ΔH_f, kcal/mol:	2.63
Dipole, Da:	7.33
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(trimethyl-lambda4-sulfanyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C1=CC2=C(C=C1)N=CC=C2)C3=CN=C4N3C=C(C=N4)C5=CC(=C(C=C5)CN6CCOC6=O)F

DOS

IR

Vibrations