Geometry & MOs

Info

ID:	128276
PubChem CID:	51037398
Reduced:	FSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	551.247873
ΔH_f, kcal/mol:	-124.49
Dipole, Da:	2.18
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-[5-[3,5-dimethyl-4-[2-[methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]ethoxy]phenyl]-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCCN(C1=NN=C(S1)C2=CC=C(C=C2)OCCN(C)CC(=O)O)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations