Geometry & MOs

Info

ID:	430348
PubChem CID:	135170412
Reduced:	SN2F6O6H22C23 (1)
Stoich.:	AB2C6D6E22F23 (1)
Weight, g/mol:	380.162374
ΔH_f, kcal/mol:	-529.86
Dipole, Da:	4.21
IP(EA), eV:	-9.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-4-(2-methoxy-4-prop-1-ynylphenyl)-5-oxo-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

CCC(C(=O)N1CC2=C([C@@H]1C(=O)NC3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C=CC(=C2)S(=O)(=O)C)O

DOS

IR

Vibrations