Geometry & MOs

Info

ID:	17657
PubChem CID:	509967
Reduced:	OSN4C29H44 (1)
Stoich.:	ABC4D29E44 (1)
Weight, g/mol:	496.323583
ΔH_f, kcal/mol:	11.36
Dipole, Da:	7.51
IP(EA), eV:	-8.39(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,3-dihydro-1H-inden-1-ylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NC1=NN=C(S1)NC2CCC3=CC=CC=C23

DOS

IR

Vibrations