Geometry & MOs

Info

ID:	373297
PubChem CID:	131312895
Reduced:	ClSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	213.055656
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	3.07
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-6-chloro-4-ethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)SC(=C2)CCl)C(=O)OC

DOS

IR

Vibrations