Geometry & MOs

Info

ID:	128278
PubChem CID:	51037400
Reduced:	ClSN4O4C25H29 (1)
Stoich.:	ABC4D4E25F29 (1)
Weight, g/mol:	523.216573
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	9.04
IP(EA), eV:	-9.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(C1=NN=C(S1)C2=CC(=C(C(=C2)C)OCCN(C)CC(=O)O)C)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations