Geometry & MOs

Info

ID:	170209
PubChem CID:	75206894
Reduced:	SN4O5C21H22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	487.315855
ΔH_f, kcal/mol:	-105.68
Dipole, Da:	6.03
IP(EA), eV:	-9.83(-1.74)
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-butyl-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1=NC(=O)C2C=CC=CC2=N1)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations