Geometry & MOs

Info

ID:	175604
PubChem CID:	75926625
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	418.05619
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	3.73
IP(EA), eV:	-9.16(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-propylsulfonylpropanamide

Drug info:

PubChemData

Smile

CN(C1CCCCCCC1)C(=O)C2CC2C3=CC=CO3

DOS

IR

Vibrations