Geometry & MOs

Info

ID:	40703
PubChem CID:	8144553
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	3.71
IP(EA), eV:	-8.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN(C1=S)CN2CCOCC2)[C@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations