Geometry & MOs

Info

ID:	226082
PubChem CID:	87322641
Reduced:	N3O6C23H29 (1)
Stoich.:	A3B6C23D29 (1)
Weight, g/mol:	443.205636
ΔH_f, kcal/mol:	-207.75
Dipole, Da:	4.18
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[1-acetamido-2-(N-ethyl-4-methoxyanilino)-2-oxoethyl]amino]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)NCCC1=CC=C(C=C1)OC)(N)NC2=CC=C(C=C2)OCCCC(=O)O

DOS

IR

Vibrations