Geometry & MOs

Info

ID:	138381
PubChem CID:	52357838
Reduced:	ON3S3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	401.069026
ΔH_f, kcal/mol:	56.82
Dipole, Da:	5.48
IP(EA), eV:	-8.62(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R)-1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)S[C@@H](C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations