Geometry & MOs

Info

ID:	141636
PubChem CID:	52906074
Reduced:	FOSN3C17H20 (1)
Stoich.:	ABCD3E17F20 (1)
Weight, g/mol:	379.115462
ΔH_f, kcal/mol:	-47.62
Dipole, Da:	2.59
IP(EA), eV:	-8.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=C(C(=NS2)C3=CC(=CC=C3)F)N)C

DOS

IR

Vibrations