Geometry & MOs

Info

ID:	345889
PubChem CID:	127270189
Reduced:	FSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	6.79
IP(EA), eV:	-8.76(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

Drug info:

PubChemData

Smile

C1CC2(C1)CN(C3=C2C(=CC=C3)F)C(=O)C4=CN=C5N(C4=O)CCS5

DOS

IR

Vibrations