Geometry & MOs

Info

ID:	407494
PubChem CID:	135080239
Reduced:	NSO4C7H17 (1)
Stoich.:	ABC4D7E17 (1)
Weight, g/mol:	255.98657
ΔH_f, kcal/mol:	-201.24
Dipole, Da:	11.12
IP(EA), eV:	-10.49(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-5-bromo-6-chloro-7-hydroxy-6-methylheptan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[NH2+]CCCOS(=O)(=O)[O-]

DOS

IR

Vibrations