Geometry & MOs

Info

ID:	373750
PubChem CID:	131319661
Reduced:	BrClSF2H2N2O4C6 (1)
Stoich.:	ABCD2E2F2G4H6 (1)
Weight, g/mol:	213.080121
ΔH_f, kcal/mol:	-127.39
Dipole, Da:	2.78
IP(EA), eV:	-11.39(-2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-fluoro-4-(hydroxymethyl)-2,3-dihydrochromen-5-ol

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1[N+](=O)[O-])C(F)F)Br)S(=O)(=O)Cl

DOS

IR

Vibrations