Geometry & MOs

Info

ID:	232737
PubChem CID:	87576845
Reduced:	O2S2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	377.153955
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	5.57
IP(EA), eV:	-8.83(-0.71)
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]-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=C(C=CC=N1)C2=CC3=C(C=C2)N=C(S3)N

DOS

IR

Vibrations