Geometry & MOs

Info

ID:	441326
PubChem CID:	135234126
Reduced:	SN2O2C6H12 (1)
Stoich.:	AB2C2D6E12 (1)
Weight, g/mol:	523.14603
ΔH_f, kcal/mol:	-57.21
Dipole, Da:	1.96
IP(EA), eV:	-9.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-phenyl-N-[5-[(1S,3S)-3-[5-[(2-phenylacetyl)amino]-3H-thiatriazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

COSC(=N)N1CCOCC1

DOS

IR

Vibrations