Geometry & MOs

Info

ID:	84425
PubChem CID:	49866403
Reduced:	O2C9H16 (2)
Stoich.:	A2B9C16 (2)
Weight, g/mol:	419.01505
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	3.32
IP(EA), eV:	-9.26(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-(4-bromophenyl)methylideneamino]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea

Drug info:

PubChemData

Smile

CCCCC[C@H](/C=C/C=C/CCCCCCCC(=O)O)OO

DOS

IR

Vibrations