Geometry & MOs

Info

ID:	37644
PubChem CID:	8022764
Reduced:	BrFN2O2S2H10C11 (1)
Stoich.:	ABC2D2E2F10G11 (1)
Weight, g/mol:	321.052976
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	3.8
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[6-chloro-4-methyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]acetate

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](CS1(=O)=O)N(C(=S)N2)C3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations