Geometry & MOs

Info

ID:	366943
PubChem CID:	127321929
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-58.12
Dipole, Da:	4.46
IP(EA), eV:	-8.8(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-azaspiro[5.5]undec-9-en-2-yl)-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCC4(C3)CCC=CC4)C

DOS

IR

Vibrations