Geometry & MOs

Info

ID:	300149
PubChem CID:	121147415
Reduced:	BrSO2N3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	362.96771
ΔH_f, kcal/mol:	29.96
Dipole, Da:	4.77
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C(SC=C2)NC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations