Geometry & MOs

Info

ID:	179388
PubChem CID:	76475870
Reduced:	NS3O5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	495.190003
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	9.65
IP(EA), eV:	-9.35(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(benzylsulfonylamino)-3-[2-(2,4-dioxo-1,3-diazinan-1-yl)acetyl]-4-(methylamino)-5-oxopentyl]guanidine

Drug info:

PubChemData

Smile

CC(C)(C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)SSC

DOS

IR

Vibrations