Geometry & MOs

Info

ID:	135260
PubChem CID:	51843538
Reduced:	N2O4C33H36 (1)
Stoich.:	A2B4C33D36 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	1.99
Dipole, Da:	4.43
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S)-N-cyclohexyl-2-[(5-methylfuran-2-yl)methyl-propanoylamino]pent-3-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@H](C2=C(C=CC3=CC=CC=C32)OC)C(=O)NC4CCCCC4)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations