Geometry & MOs

Info

ID:	122521
PubChem CID:	50810280
Reduced:	SO3N4H18C23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	428.070989
ΔH_f, kcal/mol:	40.39
Dipole, Da:	5.93
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(3-chloro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCC3=NC(=NO3)CSC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations