Geometry & MOs

Info

ID:	243526
PubChem CID:	99226261
Reduced:	ClSN3O3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	402.122498
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	6.25
IP(EA), eV:	-8.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-benzyl-4,4,4-trifluoro-3-hydroxy-N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2CCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

DOS

IR

Vibrations