Geometry & MOs

Info

ID:	291465
PubChem CID:	112400037
Reduced:	ClSN2O2C18H23 (1)
Stoich.:	ABC2D2E18F23 (1)
Weight, g/mol:	444.246059
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	3.13
IP(EA), eV:	-8.78(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[N-ethyl-N'-[2-[5-(trifluoromethyl)pyridin-2-yl]oxyethyl]carbamimidoyl]amino]piperidin-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2=CC=CC=C2N)CC(C3=CC=CS3)O.Cl

DOS

IR

Vibrations