Geometry & MOs

Info

ID:	273141
PubChem CID:	103770563
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	2.72
IP(EA), eV:	-9.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-hydroxypentyl)-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CC1=CC=CS1)O

DOS

IR

Vibrations