Geometry & MOs

Info

ID:	160043
PubChem CID:	57304423
Reduced:	NSO4C5H8 (2)
Stoich.:	ABC4D5E8 (2)
Weight, g/mol:	246.02554
ΔH_f, kcal/mol:	-357.48
Dipole, Da:	7.26
IP(EA), eV:	-9.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-oxaspiro[4.6]undecan-2-one

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSC(=O)[C@H](CS(=O)(=O)O)NC(=O)C)C(=O)O

DOS

IR

Vibrations