Geometry & MOs

Info

ID:	129536
PubChem CID:	51072990
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	1.79
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N-[4-(furan-2-yl)butan-2-yl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(=O)C2CCCO2

DOS

IR

Vibrations