Geometry & MOs

Info

ID:	320667
PubChem CID:	126662431
Reduced:	ClNSF2O5H22C25 (1)
Stoich.:	ABCD2E5F22G25 (1)
Weight, g/mol:	392.082679
ΔH_f, kcal/mol:	-217.74
Dipole, Da:	3.05
IP(EA), eV:	-8.72(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[6-[(2-chloro-6-fluorophenyl)methoxy]-4-oxo-2,3-dihydrochromen-2-yl]propanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](OC2=C(N1S(=O)(=O)C3=CC(=C(C=C3)F)OC)C=C(C=C2)/C=C/C4=C(C=CC=C4Cl)F)CO

DOS

IR

Vibrations