Geometry & MOs

Info

ID:	276362
PubChem CID:	103822477
Reduced:	BrOSN3C8H8 (1)
Stoich.:	ABCD3E8F8 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	53.17
Dipole, Da:	1.96
IP(EA), eV:	-9.4(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[5-[(1S)-1-aminopropyl]-1,2,4-oxadiazol-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2=CC(=CS2)Br)N

DOS

IR

Vibrations