Geometry & MOs

Info

ID:	128275
PubChem CID:	51037397
Reduced:	ClSN4O4C26H29 (1)
Stoich.:	ABC4D4E26F29 (1)
Weight, g/mol:	472.158055
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	3.58
IP(EA), eV:	-9.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[5-[(2-fluorobenzoyl)-propylamino]-1,3,4-thiadiazol-2-yl]phenoxy]ethyl-methylamino]acetic acid

Drug info:

PubChemData

Smile

CCCCN(C1=NN=C(S1)C2=C(C=C(C=C2)OCCN3CC(C3)C(=O)O)C)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations