Geometry & MOs

Info

ID:	412078
PubChem CID:	135084941
Reduced:	AuClNC25H38 (1)
Stoich.:	ABCD25E38 (1)
Weight, g/mol:	583.964366
ΔH_f, kcal/mol:	14.01
Dipole, Da:	11.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756305
Charge, e:	-1

Chem-info

IUPAC name:

3-[3-(pyridin-2-ylmethyl)-2H-imidazol-2-id-1-yl]propane-1-sulfonic acid;trichlorogold

Drug info:

PubChemData

Smile

CC1C=C(CCC12CC(N([CH-]2)C3=C(C=CC=C3C(C)C)C(C)C)(C)C)C.Cl[Au]

DOS

IR

Vibrations