Geometry & MOs

Info

ID:	329496
PubChem CID:	126737530
Reduced:	NSC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	406.9973
ΔH_f, kcal/mol:	67.43
Dipole, Da:	0.2
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R,4R,6S)-3-(4-bromo-1,3-thiazol-2-yl)-4-(hydroxymethyl)-6-methyloxan-3-yl]carbamothioyl]acetamide

Drug info:

PubChemData

Smile

CS/N=C/CC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations