Geometry & MOs

Info

ID:	174079
PubChem CID:	75720886
Reduced:	ClN2O3C28H39 (1)
Stoich.:	AB2C3D28E39 (1)
Weight, g/mol:	430.202321
ΔH_f, kcal/mol:	-125.19
Dipole, Da:	4.37
IP(EA), eV:	-9.25(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-chlorophenyl)oct-2-enamide

Drug info:

PubChemData

Smile

CCCCCC=CC(=O)N(C1=CC=CC=C1Cl)C(C2=CC=CO2)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations