Geometry & MOs

Info

ID:	64799
PubChem CID:	29204012
Reduced:	BrSN2O4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	436.122356
ΔH_f, kcal/mol:	-94.24
Dipole, Da:	7.75
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-benzylpiperidine-1-carbonyl)-4-chloro-N-methoxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations