Geometry & MOs

Info

ID:	60034
PubChem CID:	26665710
Reduced:	ClNO5H20C24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	403.141973
ΔH_f, kcal/mol:	-130.39
Dipole, Da:	5.82
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 2-(4-propanoylphenoxy)acetate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations