Geometry & MOs

Info

ID:	185778
PubChem CID:	77346638
Reduced:	SO3C26H38 (1)
Stoich.:	AB3C26D38 (1)
Weight, g/mol:	604.223467
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	7.75
IP(EA), eV:	-9.47(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-(4-cyclopentyl-1-naphthalen-2-ylsulfonyl-3,6-dioxopiperazin-2-yl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(C2)OC4=CC=C(C=C4)S(=O)(=O)C)CCC5C3(CCCC5)C

DOS

IR

Vibrations