Geometry & MOs

Info

ID:	81181
PubChem CID:	49854438
Reduced:	O7C27H34 (1)
Stoich.:	A7B27C34 (1)
Weight, g/mol:	393.060924
ΔH_f, kcal/mol:	-261.11
Dipole, Da:	5.97
IP(EA), eV:	-9.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

magnesium;2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C[C@@]1(C2CCC(=C)C(C2(CCC1O)C)C/C=C/3\C(COC3=O)OC(=O)/C=C/C4=CC=CO4)CO

DOS

IR

Vibrations