Geometry & MOs

Info

ID:	17652
PubChem CID:	509780
Reduced:	OSCl2N4C27H40 (1)
Stoich.:	ABC2D4E27F40 (1)
Weight, g/mol:	538.229988
ΔH_f, kcal/mol:	-39.22
Dipole, Da:	1.94
IP(EA), eV:	-9.11(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NC1=NN=C(S1)NCC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations