Geometry & MOs

Info

ID:	431442
PubChem CID:	135171522
Reduced:	BrClOSN4C14H18 (1)
Stoich.:	ABCDE4F14G18 (1)
Weight, g/mol:	423.90272
ΔH_f, kcal/mol:	103.63
Dipole, Da:	5.51
IP(EA), eV:	-8.03(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dibromo-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)imidazol-2-yl]methanol

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](N1C3=NC(=CS3)N4CN(C(=C4Cl)Br)C)COC2

DOS

IR

Vibrations