Geometry & MOs

Info

ID:	26554
PubChem CID:	652725
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	293.065654
ΔH_f, kcal/mol:	42.98
Dipole, Da:	2.13
IP(EA), eV:	-8.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C3=NN(N=N3)CCCOC4=CC=CC=C4

DOS

IR

Vibrations