Geometry & MOs

Info

ID:	86516
PubChem CID:	49886515
Reduced:	ClO5H9C11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	303.094057
ΔH_f, kcal/mol:	-165.01
Dipole, Da:	8.0
IP(EA), eV:	-9.64(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-ethylsulfonyl-2-fluoroanilino)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C(=C/C(=O)C(=O)O)/O)Cl

DOS

IR

Vibrations