Geometry & MOs

Info

ID:	134660
PubChem CID:	51735489
Reduced:	ClN2O3C31H33 (1)
Stoich.:	AB2C3D31E33 (1)
Weight, g/mol:	400.15537
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	7.8
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2R)-1-(butylamino)-1-oxopent-3-en-2-yl]-N-(3-chlorophenyl)-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)O)N(C2=CC(=CC=C2)Cl)C(=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations