Geometry & MOs

Info

ID:	184318
PubChem CID:	77145096
Reduced:	NS2O3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	-17.01
Dipole, Da:	4.43
IP(EA), eV:	-8.95(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxiran-2-ylmethoxy)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3

DOS

IR

Vibrations