Geometry & MOs

Info

ID:	78561
PubChem CID:	49693622
Reduced:	SN2O2H4C6 (2)
Stoich.:	AB2C2D4E6 (2)
Weight, g/mol:	356.057926
ΔH_f, kcal/mol:	36.69
Dipole, Da:	3.86
IP(EA), eV:	-9.44(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC2=NN=C(O2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations