Geometry & MOs

Info

ID:	134689
PubChem CID:	51739428
Reduced:	ClN2O2C22H31 (1)
Stoich.:	AB2C2D22E31 (1)
Weight, g/mol:	390.207406
ΔH_f, kcal/mol:	-100.46
Dipole, Da:	7.39
IP(EA), eV:	-9.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2R)-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