Geometry & MOs

Info

ID:	268410
PubChem CID:	103599285
Reduced:	SO2N4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	17.47
Dipole, Da:	3.59
IP(EA), eV:	-8.52(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-phenylthiophen-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CSCN2C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

DOS

IR

Vibrations