Geometry & MOs

Info

ID:	173985
PubChem CID:	75708920
Reduced:	BrN2O2C26H35 (1)
Stoich.:	AB2C2D26E35 (1)
Weight, g/mol:	530.281444
ΔH_f, kcal/mol:	-81.2
Dipole, Da:	5.63
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-4-methoxy-N-[1-[(4-methylphenyl)sulfonylmethylamino]-1-oxoheptan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=CC=C1)C(=O)NCCCC)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations