Geometry & MOs

Info

ID:	419724
PubChem CID:	135108903
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	402.19032
ΔH_f, kcal/mol:	-41.77
Dipole, Da:	5.69
IP(EA), eV:	-8.34(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylfuran-3-carbonyl)-11-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC4(CC3)C5=C(CCO4)C=CS5)C

DOS

IR

Vibrations