Geometry & MOs

Info

ID:	221817
PubChem CID:	85286173
Reduced:	O4S4N5C19H23 (1)
Stoich.:	A4B4C5D19E23 (1)
Weight, g/mol:	627.79524
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	9.05
IP(EA), eV:	-9.03(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dibromo-4-hydroxycyclohex-2-en-1-yl) acetate

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSCCN)C(=O)O)SC3=CC=CC=C3CSC(=N)N

DOS

IR

Vibrations