Geometry & MOs

Info

ID:	41935
PubChem CID:	8147867
Reduced:	FSO2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	378.134148
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	2.84
IP(EA), eV:	-8.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-4-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]but-3-enoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=C(C=C1)F)NCC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

DOS

IR

Vibrations