Geometry & MOs

Info

ID:	134948
PubChem CID:	51787994
Reduced:	ClN2O2C20H29 (1)
Stoich.:	AB2C2D20E29 (1)
Weight, g/mol:	471.156099
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	2.37
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(E,2R)-1-(cyclohexylamino)-1-oxopent-3-en-2-yl]-2-hydroxy-5-nitrobenzamide

Drug info:

PubChemData

Smile

C/C=C\[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations