Geometry & MOs

Info

ID:	44100
PubChem CID:	10500693
Reduced:	NSCl2O6H11C14 (1)
Stoich.:	ABC2D6E11F14 (1)
Weight, g/mol:	391.06305
ΔH_f, kcal/mol:	-147.54
Dipole, Da:	5.03
IP(EA), eV:	-9.49(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R,5S)-6-[(4-bromophenyl)methoxy]-3,4,5-trihydroxy-N-methoxy-N-methylhexanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)S(=O)(=O)OC2=C(C=C(C=C2Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations