Geometry & MOs

Info

ID:	300170
PubChem CID:	121147436
Reduced:	SN3O4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	355.062677
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	7.0
IP(EA), eV:	-8.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C(SC=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations