Geometry & MOs

Info

ID:	232040
PubChem CID:	87575243
Reduced:	AgLiC6H6O7 (1)
Stoich.:	ABC6D6E7 (1)
Weight, g/mol:	490.167477
ΔH_f, kcal/mol:	-460.36
Dipole, Da:	17.31
IP(EA), eV:	-9.52(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-[2-(dimethylamino)-3H-benzimidazol-5-yl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-4-methylsulfonylbenzaldehyde

Drug info:

PubChemData

Smile

[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)O)O.[Ag+]

DOS

IR

Vibrations