Geometry & MOs

Info

ID:	195687
PubChem CID:	78723344
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	430.281815
ΔH_f, kcal/mol:	-115.26
Dipole, Da:	4.88
IP(EA), eV:	-8.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-benzyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(C(C)C)NC(=O)C3=CC=CS3

DOS

IR

Vibrations