Geometry & MOs

Info

ID:	225781
PubChem CID:	87226067
Reduced:	SN3O5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	274.178024
ΔH_f, kcal/mol:	-35.8
Dipole, Da:	4.18
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethoxyethane;oxiran-2-ylmethyl 6-hydroxy-2-methylidenehexanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=NOC)C2=C(C=CC(=C2)C3=NC=CS3)NOC

DOS

IR

Vibrations