Geometry & MOs

Info

ID:	89347
PubChem CID:	49960607
Reduced:	SN3O4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	381.135842
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	8.25
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations