Geometry & MOs

Info

ID:	64814
PubChem CID:	29204037
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	432.115521
ΔH_f, kcal/mol:	-78.23
Dipole, Da:	4.98
IP(EA), eV:	-9.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-5-(3-fluoro-4-methylphenyl)-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C)C

DOS

IR

Vibrations