Geometry & MOs

Info

ID:	286651
PubChem CID:	104179605
Reduced:	FNC16H20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	265.117021
ΔH_f, kcal/mol:	25.47
Dipole, Da:	1.73
IP(EA), eV:	-9.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(3-ethylsulfanylpropylamino)ethylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CCC(CC#C)NC1CC(C1)C2=CC=CC=C2F

DOS

IR

Vibrations