Geometry & MOs

Info

ID:	232418
PubChem CID:	87576152
Reduced:	H4S4C5 (2)
Stoich.:	A4B4C5 (2)
Weight, g/mol:	437.140927
ΔH_f, kcal/mol:	65.64
Dipole, Da:	4.55
IP(EA), eV:	-7.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-1-(5-benzyl-4,5-dimethyl-3,6-dioxopiperazin-2-ylidene)ethyl]-4-methylsulfonylbenzonitrile

Drug info:

PubChemData

Smile

C1CSSC2=C1SC(=C3SC4=C(S3)SSCC4)S2

DOS

IR

Vibrations