Geometry & MOs

Info

ID:	157658
PubChem CID:	56436341
Reduced:	N2O2C11H17 (2)
Stoich.:	A2B2C11D17 (2)
Weight, g/mol:	459.15947
ΔH_f, kcal/mol:	-163.18
Dipole, Da:	3.96
IP(EA), eV:	-8.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carbonyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=NN2C)OC)C)CCC(=O)N(C)CCCC(=O)OC(C)(C)C

DOS

IR

Vibrations