Geometry & MOs

Info

ID:	244417
PubChem CID:	99350778
Reduced:	ClSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	428.242356
ΔH_f, kcal/mol:	-127.06
Dipole, Da:	5.1
IP(EA), eV:	-7.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)CN(C3=CC(=CC=C3)Cl)S(=O)(=O)C

DOS

IR

Vibrations