Geometry & MOs

Info

ID:	17638
PubChem CID:	509399
Reduced:	SO2N5C24H43 (1)
Stoich.:	AB2C5D24E43 (1)
Weight, g/mol:	465.313747
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	2.72
IP(EA), eV:	-8.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]octadec-9-enamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NC1=NN=C(S1)NCCNC(=O)C

DOS

IR

Vibrations