Geometry & MOs

Info

ID:	129142
PubChem CID:	51071120
Reduced:	ClSN3O5C30H34 (1)
Stoich.:	ABC3D5E30F34 (1)
Weight, g/mol:	587.258456
ΔH_f, kcal/mol:	-147.62
Dipole, Da:	8.92
IP(EA), eV:	-9.21(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]cyclohexyl]-1-hexanoylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CO3)N(CC4=CC=C(C=C4)Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations