Geometry & MOs

Info

ID:	188865
PubChem CID:	77776196
Reduced:	ClN2O4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	-190.81
Dipole, Da:	2.95
IP(EA), eV:	-9.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxycarbonylamino)-3-[4-phenyl-2-(pyridin-4-ylmethylcarbamoylamino)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)NC(C)C(C1=CC(=CC=C1)Cl)OC(=O)N

DOS

IR

Vibrations