Geometry & MOs

Info

ID:	285153
PubChem CID:	104098382
Reduced:	S2N3O4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	302.047361
ΔH_f, kcal/mol:	-39.98
Dipole, Da:	2.66
IP(EA), eV:	-8.6(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)NCC2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations