Geometry & MOs

Info

ID:	134945
PubChem CID:	51787872
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	334.144806
ΔH_f, kcal/mol:	-99.17
Dipole, Da:	6.02
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H](C2=CC=CC=C2O)N(C=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations