Geometry & MOs

Info

ID:	173775
PubChem CID:	75680342
Reduced:	N2O6C19H35 (1)
Stoich.:	A2B6C19D35 (1)
Weight, g/mol:	470.198777
ΔH_f, kcal/mol:	-273.46
Dipole, Da:	1.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756547
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)C12C[NH+]3CC(C1=O)(CN(C2)C3C(C(C(C(CO)O)O)O)O)C(C)C

DOS

IR

Vibrations