Geometry & MOs

Info

ID:	78562
PubChem CID:	49693623
Reduced:	SN4O4H12C16 (1)
Stoich.:	AB4C4D12E16 (1)
Weight, g/mol:	342.024518
ΔH_f, kcal/mol:	41.07
Dipole, Da:	3.99
IP(EA), eV:	-9.19(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)NC2=NN=C(O2)CC3=CC=CS3

DOS

IR

Vibrations