Geometry & MOs

Info

ID:	135498
PubChem CID:	51881584
Reduced:	ClSN2O3C18H27 (1)
Stoich.:	ABC2D3E18F27 (1)
Weight, g/mol:	448.203193
ΔH_f, kcal/mol:	-141.94
Dipole, Da:	2.66
IP(EA), eV:	-9.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]piperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N[C@@H](C)C(C)C)Cl

DOS

IR

Vibrations