Geometry & MOs

Info

ID:	41508
PubChem CID:	8146033
Reduced:	N2O7C18H30 (1)
Stoich.:	A2B7C18D30 (1)
Weight, g/mol:	407.157543
ΔH_f, kcal/mol:	-329.22
Dipole, Da:	4.69
IP(EA), eV:	-9.13(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3R)-1-[[5-(2,3-dimethylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations