Geometry & MOs

Info

ID:	31872
PubChem CID:	3722002
Reduced:	FSO4N5H26C27 (1)
Stoich.:	ABC4D5E26F27 (1)
Weight, g/mol:	505.112999
ΔH_f, kcal/mol:	-68.64
Dipole, Da:	10.78
IP(EA), eV:	-8.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,4-dioxo-3-[4-(2-phenylethenyl)piperazin-1-yl]naphthalen-2-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=N)N3C(=NC2=O)SC(=N3)CC(=O)N4CCCCC4)OCC5=CC=C(C=C5)F

DOS

IR

Vibrations