Geometry & MOs

Info

ID:	135121
PubChem CID:	51817005
Reduced:	ClN2O2C24H31 (1)
Stoich.:	AB2C2D24E31 (1)
Weight, g/mol:	350.176106
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	4.61
IP(EA), eV:	-8.92(-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-propylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=C(C=C(C=C1)C)C)N(CCC)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations