Geometry & MOs

Info

ID:	208889
PubChem CID:	80600366
Reduced:	FNOSC14H18 (1)
Stoich.:	ABCDE14F18 (1)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	2.65
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(thian-2-ylmethylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCC2CCCCS2)F

DOS

IR

Vibrations