Geometry & MOs

Info

ID:	231230
PubChem CID:	87573082
Reduced:	BrSN2O2C9H13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	283.136561
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	2.43
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCOC(=O)NC1=NC(=C(S1)Br)C

DOS

IR

Vibrations