Geometry & MOs

Info

ID:	374267
PubChem CID:	131325994
Reduced:	ClOS2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	233.049964
ΔH_f, kcal/mol:	-12.42
Dipole, Da:	2.05
IP(EA), eV:	-8.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(3,5-difluoro-2,4-dihydroxyphenyl)acetate

Drug info:

PubChemData

Smile

COC1=CSC2=C1C(=C(C=C2)CCl)SC

DOS

IR

Vibrations