Geometry & MOs

Info

ID:	139063
PubChem CID:	52467510
Reduced:	BrSO2N3H6C8 (1)
Stoich.:	ABC2D3E6F8 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	53.66
Dipole, Da:	7.06
IP(EA), eV:	-9.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-1,2,5-oxadiazol-3-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NON=C1NC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations