Geometry & MOs

Info

ID:	40589
PubChem CID:	8144383
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	322.092204
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	4.37
IP(EA), eV:	-9.14(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylanilino)-3-(morpholin-4-ylmethyl)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)OCC(=O)N/N=C\C2=CC=CC=C2OC(=O)CC

DOS

IR

Vibrations