Geometry & MOs

Info

ID:	156481
PubChem CID:	56370783
Reduced:	S2O3N4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	417.06094
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	5.52
IP(EA), eV:	-8.73(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpiperidin-3-yl) 2-(4-bromophenyl)sulfonyl-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations