Geometry & MOs

Info

ID:	261760
PubChem CID:	103249647
Reduced:	NSO2F3H8C12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-167.37
Dipole, Da:	3.73
IP(EA), eV:	-9.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-thiophen-3-ylethylamino)hexanoate

Drug info:

PubChemData

Smile

C1=CSC(=C1CNC2=C(C(=CC(=C2)F)F)F)C(=O)O

DOS

IR

Vibrations