Geometry & MOs

Info

ID:	318268
PubChem CID:	126650173
Reduced:	ClN3O4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	766.590011
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	5.93
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[3-(2-carboxyethyl)-2-methyl-3-phenyltridecan-2-yl]phenyl]propan-2-yl]-4-phenyltetradecanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC(=CC=C2)C(=O)O)OCC3=NNC(=O)N3C

DOS

IR

Vibrations