Geometry & MOs

Info

ID:	55871
PubChem CID:	17396788
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	293.065654
ΔH_f, kcal/mol:	-97.76
Dipole, Da:	4.93
IP(EA), eV:	-9.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-phenylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3O

DOS

IR

Vibrations