Geometry & MOs

Info

ID:	366900
PubChem CID:	127321809
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-117.85
Dipole, Da:	5.14
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-azaspiro[5.5]undec-9-en-2-yl)-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations