Geometry & MOs

Info

ID:	133140
PubChem CID:	51483766
Reduced:	F2N2O5H12C16 (1)
Stoich.:	A2B2C5D12E16 (1)
Weight, g/mol:	351.088892
ΔH_f, kcal/mol:	-182.4
Dipole, Da:	11.32
IP(EA), eV:	-9.61(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[(2S)-2-(furan-2-carbonylamino)propanoyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations