Geometry & MOs

Info

ID:	252
PubChem CID:	2417
Reduced:	SO5N6C25H34 (1)
Stoich.:	AB5C6D25E34 (1)
Weight, g/mol:	530.231139
ΔH_f, kcal/mol:	-164.0
Dipole, Da:	11.35
IP(EA), eV:	-9.02(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamimidoyl-N-[[1-[3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=N)N)C(=O)NCC2CCCN2C(=O)C(CO)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations