Geometry & MOs

Info

ID:	196182
PubChem CID:	78793696
Reduced:	N2O2S2F3H15C17 (1)
Stoich.:	A2B2C2D3E15F17 (1)
Weight, g/mol:	420.052226
ΔH_f, kcal/mol:	-177.58
Dipole, Da:	2.5
IP(EA), eV:	-9.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 4-[(4-chlorobenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C(F)(F)F)OC(=O)CCCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations