Geometry & MOs

Info

ID:	192809
PubChem CID:	78315143
Reduced:	O4N5C22H33 (1)
Stoich.:	A4B5C22D33 (1)
Weight, g/mol:	479.229932
ΔH_f, kcal/mol:	-149.71
Dipole, Da:	3.79
IP(EA), eV:	-8.85(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-N-[(4-chlorophenyl)methyl]-N'-(2-methylpropyl)butanediamide

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2C(NC3N2CC(CN3C4=CC=C(C=C4)OCC)O)N(C1=O)C

DOS

IR

Vibrations