Geometry & MOs

Info

ID:	128277
PubChem CID:	51037399
Reduced:	FSO2N7C28H34 (1)
Stoich.:	ABC2D7E28F34 (1)
Weight, g/mol:	516.159804
ΔH_f, kcal/mol:	-4.42
Dipole, Da:	7.76
IP(EA), eV:	-8.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[5-[(2-chlorobenzoyl)-propylamino]-1,3,4-thiadiazol-2-yl]-2,6-dimethylphenoxy]ethyl-methylamino]acetic acid

Drug info:

PubChemData

Smile

CCCCN(C1=NN=C(S1)C2=CC(=C(C(=C2)C)OCCN(C)CCN3C=NC=N3)C)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations