Geometry & MOs

Info

ID:	214519
PubChem CID:	85083147
Reduced:	O5C14H24 (2)
Stoich.:	A5B14C24 (2)
Weight, g/mol:	544.293722
ΔH_f, kcal/mol:	-469.72
Dipole, Da:	13.51
IP(EA), eV:	-9.04(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxybenzoyl)amino]-3-[4-[3-[methyl(nonanoyl)amino]phenyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CC=CC=CCCC=CC=CCCC(C)(C)C)C(C(C(C(C(C(C(C(C(=O)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations