Geometry & MOs

Info

ID:	177456
PubChem CID:	76186576
Reduced:	BrNO5H16C20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	672.175264
ΔH_f, kcal/mol:	-153.03
Dipole, Da:	3.26
IP(EA), eV:	-9.75(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bis[[1,3-bis(4-methylphenyl)-3-oxoprop-1-en-2-yl]sulfanyl]methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC(=O)C1C(CC2N(C1=O)C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)Br

DOS

IR

Vibrations