Geometry & MOs

Info

ID:	149134
PubChem CID:	53788806
Reduced:	S3N8O10H38C41 (1)
Stoich.:	A3B8C10D38E41 (1)
Weight, g/mol:	205.95786
ΔH_f, kcal/mol:	-224.58
Dipole, Da:	10.22
IP(EA), eV:	-9.5(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-methyloxane-2,5-dione

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)OC(=O)C)C(=O)N[C@H]3[C@H]4N(C3=O)C(=C(CS4)C(NC=O)SC5=NN=CS5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations