Geometry & MOs

Info

ID:	185533
PubChem CID:	77311159
Reduced:	N2S2O3C31H44 (1)
Stoich.:	A2B2C3D31E44 (1)
Weight, g/mol:	234.00039
ΔH_f, kcal/mol:	-137.17
Dipole, Da:	3.42
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromopropan-2-yl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCSC(C1CCCCC1)C(C)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

DOS

IR

Vibrations