Geometry & MOs

Info

ID:	179459
PubChem CID:	76486083
Reduced:	NOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	618.296145
ΔH_f, kcal/mol:	97.2
Dipole, Da:	4.37
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl N-[4-[[5-amino-1-(1-carbamoyl-2-methylpyrrolidin-1-ium-1-yl)-1,5-dioxopentan-2-yl]-naphthalen-2-ylsulfonylamino]butyl]carbamate

Drug info:

PubChemData

Smile

CC1CCC2C3=NC4=CC=CC=C4C(=C3)C1C2=O

DOS

IR

Vibrations