Geometry & MOs

Info

ID:	171958
PubChem CID:	75445374
Reduced:	BrClSN4H12C17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	387.168188
ΔH_f, kcal/mol:	98.28
Dipole, Da:	1.84
IP(EA), eV:	-8.79(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1C(=C(S2)N)C#N)C3=NC4=C(C=C(C=C4C=C3)Br)Cl

DOS

IR

Vibrations