Geometry & MOs

Info

ID:	44001
PubChem CID:	10322837
Reduced:	ON2C15H15 (2)
Stoich.:	AB2C15D15 (2)
Weight, g/mol:	478.213758
ΔH_f, kcal/mol:	5.21
Dipole, Da:	4.82
IP(EA), eV:	-8.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[6-(4-butoxyphenoxy)hexanoylamino]ethyl]phenyl] sulfamate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N2CCN(CC2)C(=O)C(=O)C3=C(N4CCCC5=C4C3=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations