Geometry & MOs

Info

ID:	178550
PubChem CID:	76348312
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	-9.92
Dipole, Da:	5.5
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[amino-(6-phenoxypyridin-3-yl)methylidene]amino]oxyacetyl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)CON=C(C2=CN=C(C=C2)OC3=CC=CC=C3)N)C

DOS

IR

Vibrations