Geometry & MOs

Info

ID:	167492
PubChem CID:	74835924
Reduced:	SN2O9C39H46 (1)
Stoich.:	AB2C9D39E46 (1)
Weight, g/mol:	547.261711
ΔH_f, kcal/mol:	-341.13
Dipole, Da:	6.48
IP(EA), eV:	-8.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[1-(N-benzylsulfonylanilino)propan-2-yl]piperidin-4-yl]-N-(4-carbamimidoylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1C(C2C(O1)OC(O2)(C)C)OCC3=CC=CC=C3)NC(=O)C(CCSC)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations