Geometry & MOs

Info

ID:	164861
PubChem CID:	74462227
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	430.281815
ΔH_f, kcal/mol:	-123.72
Dipole, Da:	4.72
IP(EA), eV:	-9.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-(2-methylpropyl)amino]-2-oxoethyl]-cyclopentyl-methylazanium

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)CCN1C2CCCCC2C(=O)NC1=O)C3=CC=CS3

DOS

IR

Vibrations