Geometry & MOs

Info

ID:	431362
PubChem CID:	135171437
Reduced:	ClSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	493.92683
ΔH_f, kcal/mol:	-17.72
Dipole, Da:	8.58
IP(EA), eV:	-8.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,4-dibromo-3-methyl-2H-imidazol-1-yl)-1,3-thiazol-2-yl]-2-(2,3-dihydrothiophen-2-yl)morpholine

Drug info:

PubChemData

Smile

C1C[C@H]2COC[C@@H]1N2C3=NC(=C(S3)CO)N4C=C(N=C4)Cl

DOS

IR

Vibrations