Geometry & MOs

Info

ID:	134687
PubChem CID:	51739426
Reduced:	ClN2O2C22H31 (1)
Stoich.:	AB2C2D22E31 (1)
Weight, g/mol:	390.207406
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	2.15
IP(EA), eV:	-9.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S)-1-(tert-butylamino)-1-oxopent-3-en-2-yl]-2-chloro-N-cyclohexylbenzamide

Drug info:

PubChemData

Smile

C/C=C\[C@@H](C(=O)NC(C)(C)C)N(C1CCCCC1)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations