Geometry & MOs

Info

ID:	129140
PubChem CID:	51071118
Reduced:	ClSN3O4C29H38 (1)
Stoich.:	ABC3D4E29F38 (1)
Weight, g/mol:	531.195855
ΔH_f, kcal/mol:	-164.32
Dipole, Da:	3.0
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=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