Geometry & MOs

Info

ID:	135824
PubChem CID:	51940861
Reduced:	FSN3O4H12C15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	349.053255
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	3.37
IP(EA), eV:	-9.56(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(5R)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(S1)NC(=O)[C@@H]2CC(=NO2)C3=CC(=CC=C3)F

DOS

IR

Vibrations