Geometry & MOs

Info

ID:	45706
PubChem CID:	10516699
Reduced:	BrON3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	47.63
Dipole, Da:	2.76
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[amino(methylamino)methylidene]-lambda4-sulfanylidene]-2-methyl-1-benzoxepine-3,5-dione

Drug info:

PubChemData

Smile

COC1=NC2=CC=CC=C2N3C1=NC=C3Br

DOS

IR

Vibrations