Geometry & MOs

Info

ID:	258949
PubChem CID:	103157518
Reduced:	SO2N3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	9.19
Dipole, Da:	0.92
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)C2=CC=CS2)CN

DOS

IR

Vibrations