Geometry & MOs

Info

ID:	243837
PubChem CID:	99271174
Reduced:	F2N3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	354.086113
ΔH_f, kcal/mol:	-169.24
Dipole, Da:	2.08
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[methyl-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C(C)C)NC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations