Geometry & MOs

Info

ID:	183510
PubChem CID:	77033130
Reduced:	ClNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-119.01
Dipole, Da:	4.54
IP(EA), eV:	-9.46(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-6-[3-(5-methylfuran-2-yl)prop-2-enoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CCC(CCC(=O)O)CCNC(=O)C=CC1=CC=C(S1)Cl

DOS

IR

Vibrations