Geometry & MOs

Info

ID:	33545
PubChem CID:	7886928
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	361.128255
ΔH_f, kcal/mol:	-187.04
Dipole, Da:	8.81
IP(EA), eV:	-8.96(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-ethylpiperidin-1-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CO2)C3=CCCCC3)OC

DOS

IR

Vibrations