Geometry & MOs

Info

ID:	361600
PubChem CID:	127303866
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-51.01
Dipole, Da:	5.65
IP(EA), eV:	-9.07(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CCN(C2=O)C3=CC=C(C=C3)F)C4=NN=CN4C5CC5

DOS

IR

Vibrations