Geometry & MOs

Info

ID:	154458
PubChem CID:	56313899
Reduced:	FOS2N3C24H26 (1)
Stoich.:	ABC2D3E24F26 (1)
Weight, g/mol:	444.253669
ΔH_f, kcal/mol:	-6.62
Dipole, Da:	3.15
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-3-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations