Geometry & MOs

Info

ID:	130991
PubChem CID:	51140414
Reduced:	NF2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	383.043205
ΔH_f, kcal/mol:	-169.96
Dipole, Da:	5.41
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]anilino)acetate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC(=O)COC2=CC=CC=C2OC

DOS

IR

Vibrations