Geometry & MOs

Info

ID:	242640
PubChem CID:	97857669
Reduced:	FNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-152.49
Dipole, Da:	5.35
IP(EA), eV:	-9.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(1S)-1-cyclopropyl-2-hydroxyethyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C[C@@H](CNC(=O)C1=C(C=C(C=C1)O)F)C2=CC=CC=C2)O

DOS

IR

Vibrations