Geometry & MOs

Info

ID:	295558
PubChem CID:	117534045
Reduced:	BrNSC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	38.84
Dipole, Da:	1.65
IP(EA), eV:	-8.8(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboximidothioate

Drug info:

PubChemData

Smile

CN=C(C1=CC=C(C=C1)Br)SC

DOS

IR

Vibrations