Geometry & MOs

Info

ID:	441313
PubChem CID:	135234090
Reduced:	OS2N10C19H26 (1)
Stoich.:	AB2C10D19E26 (1)
Weight, g/mol:	419.119815
ΔH_f, kcal/mol:	82.33
Dipole, Da:	5.42
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxypyridin-2-yl)-N-[5-[(3S)-3-(5-methyl-3H-thiatriazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(NC1=NN=C(S1)[C@H]2CCC[C@@H](C2)C3=NN=C(S3)NC(=O)CC4=CN=CN4)/N=C\N

DOS

IR

Vibrations