Geometry & MOs

Info

ID:	48419
PubChem CID:	10546717
Reduced:	O7C19H24 (1)
Stoich.:	A7B19C24 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-269.8
Dipole, Da:	3.79
IP(EA), eV:	-8.66(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(E)-1-(dimethylamino)-2-phenylbut-2-enylidene]amino]sulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC[C@H]2C/C(=C/C(=O)OC)/C[C@H](O2)C(=O)OC

DOS

IR

Vibrations