Geometry & MOs

Info

ID:	262436
PubChem CID:	103292992
Reduced:	ClNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	318.080491
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	8.12
IP(EA), eV:	-9.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-methoxyphenyl)methyl]piperidine-3-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNCC2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations