Geometry & MOs

Info

ID:	346275
PubChem CID:	127270779
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	10.04
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)propanamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4

DOS

IR

Vibrations