Geometry & MOs

Info

ID:	338645
PubChem CID:	127259656
Reduced:	SN3O6C11H17 (1)
Stoich.:	AB3C6D11E17 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-192.11
Dipole, Da:	5.83
IP(EA), eV:	-8.69(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethoxymethyl)-4-[(E)-methoxyiminomethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN=C(N)NS(=O)(=O)O

DOS

IR

Vibrations