Geometry & MOs

Info

ID:	182645
PubChem CID:	76917076
Reduced:	FSN3O3C13H20 (1)
Stoich.:	ABC3D3E13F20 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	3.66
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-N-(2-methylpropyl)butanamide

Drug info:

PubChemData

Smile

CC(C)CN(CCC(=NO)N)S(=O)(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations