Geometry & MOs

Info

ID:	129141
PubChem CID:	51071119
Reduced:	ClSN3O4C27H34 (1)
Stoich.:	ABC3D4E27F34 (1)
Weight, g/mol:	583.19077
ΔH_f, kcal/mol:	-153.75
Dipole, Da:	6.47
IP(EA), eV:	-9.16(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCCC(C1)C(=O)N[C@@H]2CCCC[C@H]2N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations