Geometry & MOs

Info

ID:	78585
PubChem CID:	49693728
Reduced:	ClSN4O4H11C17 (1)
Stoich.:	ABC4D4E11F17 (1)
Weight, g/mol:	390.018954
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	7.66
IP(EA), eV:	-9.33(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[5-[(5-chlorothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC3=NN=C(O3)CC4=CC=C(S4)Cl

DOS

IR

Vibrations