Geometry & MOs

Info

ID:	415295
PubChem CID:	135088287
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	6.36
IP(EA), eV:	-8.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-benzyl-3-(2-methyl-1,3-thiazole-4-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=CN=C(C=C4)OC)OCC2

DOS

IR

Vibrations