Geometry & MOs

Info

ID:	31880
PubChem CID:	3722553
Reduced:	OS2N4H20C25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	496.158055
ΔH_f, kcal/mol:	95.79
Dipole, Da:	8.91
IP(EA), eV:	-8.63(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N'-(2-phenoxyacetyl)-1,3-thiazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)N5C6=CC=CC=C6N=C5S4

DOS

IR

Vibrations