Geometry & MOs

Info

ID:	20590
PubChem CID:	584725
Reduced:	SF3N3O4C16H16 (1)
Stoich.:	AB3C3D4E16F16 (1)
Weight, g/mol:	403.081362
ΔH_f, kcal/mol:	-256.19
Dipole, Da:	5.77
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations