Geometry & MOs

Info

ID:	33436
PubChem CID:	7886464
Reduced:	FOS2N4H15C16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	14.58
Dipole, Da:	5.15
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]phenyl]propyl]acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)CSC2=NNC(=N2)C3=CC=CS3

DOS

IR

Vibrations