Geometry & MOs

Info

ID:	71131
PubChem CID:	48414335
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	-33.63
Dipole, Da:	8.63
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2,5-thiadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC(C3=NC(=NO3)C4=CC=CC=C4)C(C)C

DOS

IR

Vibrations