Geometry & MOs

Info

ID:	185551
PubChem CID:	77313078
Reduced:	ClSF2N2O5C25H25 (1)
Stoich.:	ABC2D2E5F25G25 (1)
Weight, g/mol:	473.300205
ΔH_f, kcal/mol:	-221.91
Dipole, Da:	2.82
IP(EA), eV:	-8.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(4-carbamimidoylphenoxy)ethyl]piperidin-2-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3C4=CC(=CC(=C4)F)F)OC)OC)Cl

DOS

IR

Vibrations