Geometry & MOs

Info

ID:	431361
PubChem CID:	135171436
Reduced:	ClOSN4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	326.060425
ΔH_f, kcal/mol:	32.16
Dipole, Da:	7.09
IP(EA), eV:	-8.87(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chloroimidazol-1-yl)-2-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazol-5-yl]methanol

Drug info:

PubChemData

Smile

C1C[C@H]2COC[C@@H]1N2C3=NC(=CS3)N4C=C(N=C4)Cl

DOS

IR

Vibrations