Geometry & MOs

Info

ID:	143982
PubChem CID:	53291676
Reduced:	O4N6H23C26 (1)
Stoich.:	A4B6C23D26 (1)
Weight, g/mol:	265.052112
ΔH_f, kcal/mol:	37.52
Dipole, Da:	8.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.236050
Charge, e:	0

Chem-info

IUPAC name:

4-(2-anilino-2-oxoethyl)sulfanyl-3-methyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CN(CC1=[N+](NOC1=O)C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)N=NC5=CC=CC=C5

DOS

IR

Vibrations