Geometry & MOs

Info

ID:	232740
PubChem CID:	87576850
Reduced:	NSO5C10H19 (1)
Stoich.:	ABC5D10E19 (1)
Weight, g/mol:	437.07389
ΔH_f, kcal/mol:	-223.12
Dipole, Da:	4.21
IP(EA), eV:	-8.59(0.19)
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]-3-bromobenzonitrile

Drug info:

PubChemData

Smile

CCCCS(=O)CC[C@@H](C(=O)OC)NC(=O)O

DOS

IR

Vibrations