Geometry & MOs

Info

ID:	404247
PubChem CID:	135065526
Reduced:	BrN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	317.121628
ΔH_f, kcal/mol:	-169.28
Dipole, Da:	2.51
IP(EA), eV:	-8.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroheptyl)-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2[C@@H](CCN2C(=O)OC)C3=C1C=CC(=C3)Br

DOS

IR

Vibrations