Geometry & MOs

Info

ID:	158324
PubChem CID:	56463358
Reduced:	SO3N4C20H32 (1)
Stoich.:	AB3C4D20E32 (1)
Weight, g/mol:	409.1001
ΔH_f, kcal/mol:	-90.43
Dipole, Da:	6.18
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations