Geometry & MOs

Info

ID:	374780
PubChem CID:	131343025
Reduced:	NSF2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	231.021769
ΔH_f, kcal/mol:	-75.21
Dipole, Da:	1.83
IP(EA), eV:	-8.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-6-(chloromethyl)phenyl]-3-chloropropan-2-one

Drug info:

PubChemData

Smile

CCC1=C(C(=C2C(=C1)C=CS2)N)C(F)F

DOS

IR

Vibrations