Geometry & MOs

Info

ID:	232287
PubChem CID:	87575885
Reduced:	C3S6H8 (1)
Stoich.:	A3B6C8 (1)
Weight, g/mol:	395.144533
ΔH_f, kcal/mol:	21.71
Dipole, Da:	2.63
IP(EA), eV:	-8.96(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z)-1-[5-[(2,5-difluorophenyl)methyl]-4,5-dimethyl-3,6-dioxopiperazin-2-ylidene]ethyl]benzonitrile

Drug info:

PubChemData

Smile

C(C(S)S)SSC(S)S

DOS

IR

Vibrations