Geometry & MOs

Info

ID:	311969
PubChem CID:	126600054
Reduced:	OSN7C22H25 (1)
Stoich.:	ABC7D22E25 (1)
Weight, g/mol:	227.072848
ΔH_f, kcal/mol:	97.36
Dipole, Da:	8.26
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1CC2=NN=C(C=C2)NC(=O)CC3=CC=CC=N3)C4=NN=C(S4)NC5CC5

DOS

IR

Vibrations