Geometry & MOs

Info

ID:	172830
PubChem CID:	75558961
Reduced:	BrOSN3H14C16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	401.0375
ΔH_f, kcal/mol:	48.7
Dipole, Da:	4.18
IP(EA), eV:	-8.52(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-methylphenyl)-5-[(1,5-dimethylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations