Geometry & MOs

Info

ID:	300161
PubChem CID:	121147427
Reduced:	SN4O4H12C15 (1)
Stoich.:	AB4C4D12E15 (1)
Weight, g/mol:	353.044582
ΔH_f, kcal/mol:	13.23
Dipole, Da:	5.98
IP(EA), eV:	-9.17(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CS2)C3=NC(=NO3)C)[N+](=O)[O-]

DOS

IR

Vibrations