Geometry & MOs

Info

ID:	162329
PubChem CID:	57394326
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	457.98081
ΔH_f, kcal/mol:	19.1
Dipole, Da:	2.06
IP(EA), eV:	-9.11(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[5-[3-(2-bromo-5-fluorophenoxy)propoxy]-1,3,4-thiadiazol-2-yl]tetrazol-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1COCCC1CN2C3=NC(=CN=C3NC2=O)C4=CC=C(C=C4)C5=CN=CN5

DOS

IR

Vibrations