Geometry & MOs

Info

ID:	135525
PubChem CID:	51885748
Reduced:	NO5H23C26 (1)
Stoich.:	AB5C23D26 (1)
Weight, g/mol:	428.120607
ΔH_f, kcal/mol:	-129.46
Dipole, Da:	4.6
IP(EA), eV:	-9.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@@H]4C3=O)C(=C5)C

DOS

IR

Vibrations