Geometry & MOs

Info

ID:	177771
PubChem CID:	76228920
Reduced:	IN4O4C17H23 (1)
Stoich.:	AB4C4D17E23 (1)
Weight, g/mol:	446.264154
ΔH_f, kcal/mol:	-130.31
Dipole, Da:	6.0
IP(EA), eV:	-9.17(-0.92)
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-(2-methylpropyl)-3-(phenylcarbamoylamino)propanamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)C(=O)COC2=CC=C(C=C2)I)N

DOS

IR

Vibrations