Geometry & MOs

Info

ID:	174190
PubChem CID:	75737755
Reduced:	SN3O4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	415.177016
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	7.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759460
Charge, e:	-1

Chem-info

IUPAC name:

6-methyl-2-oxo-3-[2-(3-phenylpyrazolidin-4-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]pyran-4-olate

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C=CC(=O)C2=C(SC(=O)NC2=O)[O-]

DOS

IR

Vibrations