Geometry & MOs

Info

ID:	268961
PubChem CID:	103603134
Reduced:	ClNO2S2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-40.78
Dipole, Da:	4.15
IP(EA), eV:	-9.12(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNCCS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations