Geometry & MOs

Info

ID:	183221
PubChem CID:	76994113
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	317.094247
ΔH_f, kcal/mol:	-58.12
Dipole, Da:	3.65
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-hydroxyiminopropyl)-2-chloro-4-fluoro-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

COCCN(CCC(=NO)N)C(=O)C1=CC=CS1

DOS

IR

Vibrations