Geometry & MOs

Info

ID:	134656
PubChem CID:	51735014
Reduced:	ClN2O2F3C24H28 (1)
Stoich.:	AB2C2D3E24F28 (1)
Weight, g/mol:	470.148274
ΔH_f, kcal/mol:	-237.08
Dipole, Da:	3.3
IP(EA), eV:	-9.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(3-chlorophenyl)-[(Z,2S)-1-(cyclohexylamino)-1-oxopent-3-en-2-yl]carbamoyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)C(F)(F)F)N(C=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations