Geometry & MOs

Info

ID:	140514
PubChem CID:	52713356
Reduced:	NO4C25H25 (1)
Stoich.:	AB4C25D25 (1)
Weight, g/mol:	303.1293
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	2.85
IP(EA), eV:	-8.62(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-methylfuran-2-yl)-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C=C2C1)OC=C3CC(=O)N[C@H](C4CC4)C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations