Geometry & MOs

Info

ID:	134946
PubChem CID:	51787992
Reduced:	ClN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	334.144806
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	1.79
IP(EA), eV:	-9.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-2-(2-chloro-N-formylanilino)-N-cyclohexylpent-3-enamide

Drug info:

PubChemData

Smile

C/C=C\[C@H](C(=O)NC1CCCCC1)N(C=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations