Geometry & MOs

Info

ID:	149711
PubChem CID:	53789386
Reduced:	O3C5H6 (1)
Stoich.:	A3B5C6 (1)
Weight, g/mol:	349.03473
ΔH_f, kcal/mol:	-40.96
Dipole, Da:	5.53
IP(EA), eV:	-10.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(benzenesulfonyl)-2-(bromomethylamino)-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

C1COOC(=O)C=C1

DOS

IR

Vibrations