Geometry & MOs

Info

ID:	204331
PubChem CID:	79949653
Reduced:	BrNSO2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	283.104228
ΔH_f, kcal/mol:	-81.66
Dipole, Da:	1.24
IP(EA), eV:	-8.7(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-fluoroanilino)-5-methylthiolane-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(SC1)C)NC2=CC=CC=C2Br

DOS

IR

Vibrations