Geometry & MOs

Info

ID:	32088
PubChem CID:	4265999
Reduced:	N4O4H12C17 (1)
Stoich.:	A4B4C12D17 (1)
Weight, g/mol:	459.96633
ΔH_f, kcal/mol:	31.86
Dipole, Da:	10.01
IP(EA), eV:	-9.15(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C#N)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations