Geometry & MOs

Info

ID:	188878
PubChem CID:	77778410
Reduced:	ClSN2O2C17H29 (1)
Stoich.:	ABC2D2E17F29 (1)
Weight, g/mol:	587.357051
ΔH_f, kcal/mol:	-128.99
Dipole, Da:	6.54
IP(EA), eV:	-8.82(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[3-[[1-methoxy-5-(3-methoxyphenyl)-1-oxopentan-3-yl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCSCCC(C(C(=O)NCCCCC1=CC=CC=C1)O)N.Cl

DOS

IR

Vibrations