Geometry & MOs

Info

ID:	43052
PubChem CID:	10318206
Reduced:	OF4N4H14C19 (1)
Stoich.:	AB4C4D14E19 (1)
Weight, g/mol:	389.084181
ΔH_f, kcal/mol:	-135.2
Dipole, Da:	4.1
IP(EA), eV:	-9.72(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[4-(chloromethyl)-5H-1,3-thiazol-1-ium-2-yl]-1-deuterio-2-phenylethyl]carbamate;chloride

Drug info:

PubChemData

Smile

CC(=O)N(C1=NC(=NC(=C1C2=CC=CC=C2)C3=CC=C(C=C3)F)C(F)(F)F)N

DOS

IR

Vibrations