Geometry & MOs

Info

ID:	9961
PubChem CID:	95426
Reduced:	NCl2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	333.053463
ΔH_f, kcal/mol:	-182.8
Dipole, Da:	1.27
IP(EA), eV:	-9.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations