Geometry & MOs

Info

ID:	141635
PubChem CID:	52905863
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	333.131112
ΔH_f, kcal/mol:	-80.51
Dipole, Da:	4.35
IP(EA), eV:	-8.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-3-(3-fluorophenyl)-1,2-thiazol-5-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2=C(C(=NS2)C(=O)NC(C)C)N

DOS

IR

Vibrations