Geometry & MOs

Info

ID:	40583
PubChem CID:	8144376
Reduced:	SN4O4C19H28 (1)
Stoich.:	AB4C4D19E28 (1)
Weight, g/mol:	339.094943
ΔH_f, kcal/mol:	-179.53
Dipole, Da:	5.03
IP(EA), eV:	-9.13(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)N(C)CC(=O)NC(C)(C)C)C

DOS

IR

Vibrations