Geometry & MOs

Info

ID:	164883
PubChem CID:	74466300
Reduced:	SN3O3C21H34 (1)
Stoich.:	AB3C3D21E34 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-119.78
Dipole, Da:	8.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756225
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C3CCCCC3

DOS

IR

Vibrations