Geometry & MOs

Info

ID:	49251
PubChem CID:	11532350
Reduced:	SN2O2F3H19C23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	444.157974
ΔH_f, kcal/mol:	-169.21
Dipole, Da:	6.07
IP(EA), eV:	-8.85(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)CCN3C=C(C4=CC=CC=C43)CC(=O)O

DOS

IR

Vibrations